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

Structure

InChI Key BIMJIRFFDLQHJJ-QZTJIDSGSA-N
Smiles O[C@@H]1C=Cc2c(ccc3c4ccccc4ccc23)[C@H]1O
InChI
InChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10,17-20H/t17-,18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14O2
Molecular Weight 262.1
AlogP 3.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 64920-31-6
NORMAN SUSDAT