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

Structure

InChI Key YJDYCULVYZDESB-HKQXQEGQSA-N
Smiles O=C1CCC2C3CCC4CCCCC4(C)C3CCC12C
InChI
InChI=1/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30O
Molecular Weight 274.23
AlogP 4.99
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 963-74-6
NORMAN SUSDAT
PubChem 101927