281
  -OEChem-10051722173D

  2  1  0     0  0  0  0  0  0999 V2000
    0.5285    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5285    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DB11588

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
[C-]#[O+]

> <INCHI_IDENTIFIER>
InChI=1S/CO/c1-2

> <INCHI_KEY>
UGFAIRIUMAVXCW-UHFFFAOYSA-N

> <FORMULA>
CO

> <MOLECULAR_WEIGHT>
28.01

> <EXACT_MASS>
27.99491462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.944703610827415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-0.06

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.2298

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.37e+00 g/l

> <JCHEM_VEBER_RULE>
1

$$$$