Mrv1572004191601232D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004480

> <DATABASE_NAME>
chemdb

> <SMILES>
N.OS(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)

> <INCHI_KEY>
ZETCGWYACBNPIH-UHFFFAOYSA-N

> <FORMULA>
H5NO3S

> <MOLECULAR_WEIGHT>
99.1

> <EXACT_MASS>
98.999014199

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
5.756159735620628

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfurous acid amine

> <JCHEM_LOGP>
-1.1546872626666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.30102999566398

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6989700043360187

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
12.3279

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sulfurous acid amine

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ammonium bisulfite

> <CAS>
10192-30-0

> <SYNONYMS>
Sulfurous acid, monoammonium salt

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