Mrv0541 02241221022D          

  7  5  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.1214    0.2063    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -0.2063    0.0000 C   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
FDB020325

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
PHZLMBHDXVLRIX-UHFFFAOYSA-M

> <FORMULA>
C3H5KO3

> <MOLECULAR_WEIGHT>
128.1683

> <EXACT_MASS>
127.987575887

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
7.6434406194236715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium 2-hydroxypropanoate

> <ALOGPS_LOGP>
-0.63

> <JCHEM_LOGP>
-0.47182951800000017

> <ALOGPS_LOGS>
0.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.593508084825753

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.784942414122652

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6696493832413326

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
29.676900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium lactate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB020325

> <GENERIC_NAME>
Potassium lactate

$$$$