Metabolite Methanol

Name
Methanol
Description
Not Available
Structure
Synonyms
Not Available
UNII
Y4S76JWI15
CAS number
Not Available
Weight
Average: 32.0419
Monoisotopic: 32.02621475
Chemical Formula
CH4O
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
IUPAC Name
methanol
SMILES
CO
Reactions
Human Metabolome Database
HMDB0001875
KEGG Compound
C00132
ChemSpider
864
ChEBI
17790
ChEMBL
CHEMBL14688
PDBe Ligand
MOH
Wikipedia
Methanol
Predicted Properties
PropertyValueSource
Water Solubility519.0 mg/mLALOGPS
logP-1.4ALOGPS
logP-0.52ChemAxon
logS1.21ALOGPS
pKa (Strongest Acidic)15.78ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.26 m3·mol-1ChemAxon
Polarizability3.38 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon