Mrv0541 02241220542D          

  7  5  0  0  0  0            999 V2000
   -0.0405    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    0.1510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3885    1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.1179    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  2   5  -1   7   1
M  END
> <DATABASE_ID>
DBSALT001765

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
NGSFWBMYFKHRBD-UHFFFAOYSA-M

> <FORMULA>
C3H5NaO3

> <MOLECULAR_WEIGHT>
112.0598

> <EXACT_MASS>
112.013638701

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.999390940605672

> <JCHEM_AVERAGE_POLARIZABILITY>
7.647967876852455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 2-hydroxypropanoate

> <ALOGPS_LOGP>
-0.61

> <JCHEM_LOGP>
-0.47182951800000017

> <ALOGPS_LOGS>
0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.593508084825755

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.784942414122652

> <JCHEM_PKA_STRONGEST_BASIC>
-3.669649383241333

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
29.676900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.51e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001765

> <NAME>
Sodium lactate

> <DRUG_DRUGBANK_ID>
DB04398

> <DRUG_NAME>
Lactic acid

> <CAS_NUMBER>
72-17-3

> <UNII>
TU7HW0W0QT

$$$$