Mrv1652309042000252D          

  2  1  0  0  0  0            999 V2000
    4.6887   -4.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5137   -4.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0001875

> <DATABASE_NAME>
bmdb

> <SMILES>
CO

> <INCHI_IDENTIFIER>
InChI=1S/CH4O/c1-2/h2H,1H3

> <INCHI_KEY>
OKKJLVBELUTLKV-UHFFFAOYSA-N

> <FORMULA>
CH4O

> <MOLECULAR_WEIGHT>
32.0419

> <EXACT_MASS>
32.02621475

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
3.3823377787776097

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanol

> <ALOGPS_LOGP>
-1.38

> <JCHEM_LOGP>
-0.5185770686666668

> <ALOGPS_LOGS>
1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.775593215075904

> <JCHEM_PKA_STRONGEST_BASIC>
-2.459555527725798

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
8.2613

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.19e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methanol

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0001875

> <GENERIC_NAME>
Methanol

> <SYNONYMS>
Alcool methylique; Alcool metilico; Carbinol; CH3OH; Colonial spirit; Columbian spirit; Columbian spirits; Hydroxymethane; Metanolo; methanol; Methanol-water mixture; Methyl alcohol; Methyl hydroxide; Methylalkohol; Methylol; Metylowy alkohol; Monohydroxymethane; Pyro alcohol; Pyroxylic spirit; Spirit of wood; Wood alcohol; Wood naphtha; Wood spirit

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