Mrv0541 02241219532D          

  8  5  0  0  0  0            999 V2000
    2.2687   -2.0208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.4437    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437    2.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687    2.0208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2062    1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    2.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    2.0208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2687   -0.9483    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  4   1   1   4  -1   7  -1   8   1
M  END
> <DATABASE_ID>
FDB012995

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2

> <INCHI_KEY>
JVBXVOWTABLYPX-UHFFFAOYSA-L

> <FORMULA>
Na2O4S2

> <MOLECULAR_WEIGHT>
174.107

> <EXACT_MASS>
173.903339218

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
8.412434202604503

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium sulfinatosulfinate

> <JCHEM_LOGP>
-1.5210183786666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
-0.9088544997521382

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.4771794268626133

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
17.2832

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dithionite

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB012995

> <GENERIC_NAME>
Sodium dithionite (Na2S2O4)

$$$$