Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 73DY8D89AX
EPA CompTox DTXSID30167690

Structure

InChI Key XHMLXYGITDAGDN-UHFFFAOYSA-N
Smiles Cc1ccc(O)c2c1CCC2
InChI
InChI=1S/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16400-13-8
NORMAN SUSDAT
FDA SRS 73DY8D89AX
PubChem 85398
ChemSpider 77020.0