Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HQRWWHIETAKIMO-UHFFFAOYSA-N
Smiles OC(C=1C=CC=CC1)CCC
InChI
InChI=1/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O
Molecular Weight 150.1
AlogP 2.52
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 614-14-2
NORMAN SUSDAT
PubChem 95372