Mrv0541 02241215012D          

  6  3  0  0  0  0            999 V2000
   -0.3985    0.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985   -0.1374    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -0.5497    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3160   -0.5497    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1132    0.1374    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1132   -0.6872    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  CHG  4   3  -1   4  -1   5   1   6   1
M  END
> <DATABASE_ID>
FDB010578

> <DATABASE_NAME>
foodb

> <SMILES>
[NH4+].[NH4+].[O-]S([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)

> <INCHI_KEY>
PQUCIEFHOVEZAU-UHFFFAOYSA-N

> <FORMULA>
H8N2O3S

> <MOLECULAR_WEIGHT>
116.14

> <EXACT_MASS>
116.025562822

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.102071612125475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium sulfite

> <JCHEM_LOGP>
-1.1546872626666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.916909462941165

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.6693460536121636

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
10.0845

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diammonium sulfite

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB010578

> <GENERIC_NAME>
Diammonium sulfite

$$$$