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

Structure

InChI Key UYOSWZUOIYCNSA-UHFFFAOYSA-N
Smiles Cc1ccccc1C(c1ccccc1C)c1cccc(O)c1O
InChI
InChI=1S/C21H20O2/c1-14-8-3-5-10-16(14)20(17-11-6-4-9-15(17)2)18-12-7-13-19(22)21(18)23/h3-13,20,22-23H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20O2
Molecular Weight 304.15
AlogP 4.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Heavy Atoms 23.0

Cross References

Resources Reference
NORMAN SUSDAT