Mrv0541 02241220422D          

  4  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.1214    0.1375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
FDB010268

> <DATABASE_NAME>
foodb

> <SMILES>
[Na+].[O-]C=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1

> <INCHI_KEY>
HLBBKKJFGFRGMU-UHFFFAOYSA-M

> <FORMULA>
CHNaO2

> <MOLECULAR_WEIGHT>
68.0072

> <EXACT_MASS>
67.987423951

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
3.044214304378972

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium formate

> <ALOGPS_LOGP>
-0.58

> <JCHEM_LOGP>
-0.2720444223333333

> <ALOGPS_LOGS>
1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.2691179843154865

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
18.9903

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.34e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium formate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB010268

> <GENERIC_NAME>
Sodium formate

$$$$