[NO NAME]
  Mrv0541 04181215012D          
Created with ChemWriter - http://chemwriter.com
  7  5  0  0  0  0            999 V2000
    1.8719    1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    1.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    0.0180    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8719    2.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864    1.3365    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4429    1.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
> <DATABASE_ID>
DB06768

> <DATABASE_NAME>
drugbank

> <SMILES>
[NH4+].CC(O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3

> <INCHI_KEY>
RZOBLYBZQXQGFY-UHFFFAOYSA-N

> <FORMULA>
C3H9NO3

> <MOLECULAR_WEIGHT>
107.1085

> <EXACT_MASS>
107.058243159

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.999390940605672

> <JCHEM_AVERAGE_POLARIZABILITY>
7.647103093177037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ammonium 2-hydroxypropanoate

> <ALOGPS_LOGP>
-0.51

> <JCHEM_LOGP>
-0.47182951800000017

> <ALOGPS_LOGS>
0.91

> <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>
29.6769

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.66e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB06768

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ammonium lactate

> <SYNONYMS>
Ammonium (+-)-lactate; Ammonium lactate; Lactic acid ammonium salt

> <PRODUCTS>
Ammonium Lactate; Geri-Hydrolac; LAClotion; Lac Hydrin Cream; Lac-Hydrin; Quinosone; Ultravate X

> <INTERNATIONAL_BRANDS>
Amlactin

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