Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I5YJB4EXVP

Structure

InChI Key GNPWYHFXSMINJQ-UHFFFAOYSA-N
Smiles CC(c1ccccc1)c2cccc(C)c2C
InChI
InChI=1S/C16H18/c1-12-8-7-11-16(13(12)2)14(3)15-9-5-4-6-10-15/h4-11,14H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18
Molecular Weight 210.14
AlogP 4.46
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 40766-31-2
NORMAN SUSDAT
FDA SRS I5YJB4EXVP