Mrv1572004221604042D          

  7  5  0  0  0  0            999 V2000
    2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
M  CHG  2   5  -1   7   1
M  END
> <DATABASE_ID>
DBSALT001546

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
DAEPDZWVDSPTHF-UHFFFAOYSA-M

> <FORMULA>
C3H3NaO3

> <MOLECULAR_WEIGHT>
110.044

> <EXACT_MASS>
109.99798824

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.921082749076982

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 2-oxopropanoate

> <ALOGPS_LOGP>
-0.37

> <JCHEM_LOGP>
0.06587395333333337

> <ALOGPS_LOGS>
0.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.93012330309767

> <JCHEM_PKA_STRONGEST_BASIC>
-9.583170381128017

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
28.826800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.96e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium pyruvate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001546

> <NAME>
Sodium pyruvate

> <DRUG_DRUGBANK_ID>
DB00119

> <DRUG_NAME>
Pyruvic acid

> <CAS_NUMBER>
113-24-6

> <UNII>
POD38AIF08

$$$$