19660
  -OEChem-07121815393D

  4  3  0     0  0  0  0  0  0999 V2000
    1.0582    0.7341    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1068   -1.2832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1649    0.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1  -1   2  -1
M  END
> <DATABASE_ID>
DB14531

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BVKZGUZCCUSVTD-UHFFFAOYSA-L/SDF?record_type=3d

> <SMILES>
[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2

> <INCHI_KEY>
BVKZGUZCCUSVTD-UHFFFAOYSA-L

> <FORMULA>
CO3

> <MOLECULAR_WEIGHT>
60.0089

> <EXACT_MASS>
59.984743866

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033064

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbonate

> <ALOGPS_LOGP>
-0.53

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.56e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbonate

> <JCHEM_VEBER_RULE>
0

$$$$