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

Structure

InChI Key RSIHSRDYCUFFLA-KZYORJDKSA-N
Smiles O[C@H]1[C@]2(C)[C@](CC1)([H])[C@@](CC3)([H])[C@]([C@@](C)(C=C4)C3=CC4=O)([H])CC2
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26O2
Molecular Weight 286.19
AlogP 3.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 21.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 11875853