toluene

Ligand id: 5481

Name: toluene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 0
Molecular weight 92.06
XLogP 4.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methylbenzene
Synonyms
1-methylbenzene | methylbenzol | phenylmethane
Database Links
CAS Registry No. 108-88-3
ChEBI CHEBI:17578
ChEMBL Ligand CHEMBL9113
DrugBank Ligand DB01900
PubChem CID 1140
RCSB PDB Ligand MBN
Search Google for chemical match using the InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YXFVVABEGXRONW
Search UniChem for chemical match using the InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YXFVVABEGXRONW
Wikipedia Toluene
Comments
Toluene is a widely used industrial solvent. It is one of the many solvents inhaled as a drug of abuse.