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

Structure

InChI Key JUAJXSMWFOFDFC-MNHDCVOLSA-N
Smiles C[C@@H]1Cc2cc(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@H]13
InChI
InChI=1S/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3/t11-,15-,16+,18-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24O2
Molecular Weight 284.18
AlogP 4.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 10448-96-1
NORMAN SUSDAT