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

Structure

InChI Key WPOCIZJTELRQMF-CCIOVHFFSA-N
Smiles C[C@]12CC[C@@H]3c4ccc(cc4CCC3[C@@H]1C[C@@H](C2=O)O)O
InChI
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14?,15+,16+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Weight 286.16
AlogP 2.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 57.53
Heavy Atoms 21.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 154700060