Mrv1572004191601592D          

  6  4  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
    2.0625    0.7145    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
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
M  CHG  2   5  -1   6   1
M  END
> <DATABASE_ID>
DBSALT002397

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1

> <INCHI_KEY>
NNMHYFLPFNGQFZ-UHFFFAOYSA-M

> <FORMULA>
C3H3NaO2

> <MOLECULAR_WEIGHT>
94.045

> <EXACT_MASS>
94.00307362

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
6.046318999375413

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium prop-2-enoate

> <ALOGPS_LOGP>
0.24

> <JCHEM_LOGP>
0.5329472926666666

> <ALOGPS_LOGS>
0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.715808200933474

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
28.1285

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.69e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium acrylate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002397

> <NAME>
Sodium acrylate

> <DRUG_DRUGBANK_ID>
DB02579

> <DRUG_NAME>
Acrylic Acid

> <CAS_NUMBER>
7446-81-3

> <UNII>
7C98FKB43H

$$$$