CAS Num: 008062-14-4
SMILES : NS(=O)(=O)c1ccc(N=Nc2c(N)cc(N)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2)cc1
CHEM   : 
MOL FOR: C18 H18 N8 O4 S2 
MOL WT : 474.52
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  725.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  318.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.69E-017  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.25E-015  (Modified Grain method)
    Subcooled liquid VP: 3.36E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 4.48E-012 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  53.95
       log Kow used: 1.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.033 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Hydrazines
       Anilines (amino-meta)
       Amides 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.08E-023  atm-m3/mole  (3.12E-018 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.956E-019 atm-m3/mole  (1.982E-014 Pa-m3/mole)
      VP:   1.69E-017 mm Hg (source: MPBPVP)
      WS:   54 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.00  (KowWin est)
  Log Kaw used:  -20.900  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.900
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4295
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.2799  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8408  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -1.0245
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6739
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.48E-012 Pa (3.36E-014 mm Hg)
  Log Koa (Koawin est  ): 21.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.7E+005 
       Octanol/air (Koa) model:  1.95E+009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.642 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2799  L/kg (MCI method)
      Log Koc:  3.447       (MCI method)
      Koc    :  416.8  L/kg (Kow method)
      Log Koc:  2.620       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6439 days (HL = 0.0227 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.139 (BCF = 1.377)
   Log BAF Arnot-Gobas method (upper trophic) = 0.139 (BAF = 1.377)
       log Kow used: 1.00 (estimated)

 Volatilization from Water:
    Henry LC:  3.08E-023 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.141E+019  hours   (1.725E+018 days)
    Half-Life from Model Lake : 4.517E+020  hours   (1.882E+019 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.79  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.54e-009       1.28         1000       
   Water     4.24            4.32e+003    1000       
   Soil      94.6            8.64e+003    1000       
   Sediment  1.16            3.89e+004    0          
     Persistence Time: 7.97e+003 hr