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

Structure

InChI Key MUAHMQUPOQGKOQ-UHFFFAOYSA-N
Smiles N#Cc1ccc2Oc3ccccc3C4=C(CCN(CC4)CC5CCCC5)c2c1
InChI
InChI=1S/C25H26N2O/c26-16-19-9-10-25-23(15-19)21-12-14-27(17-18-5-1-2-6-18)13-11-20(21)22-7-3-4-8-24(22)28-25/h3-4,7-10,15,18H,1-2,5-6,11-14,17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N2O1
Molecular Weight 370.2
AlogP 5.86
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 36.26
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 79262-46-7
NORMAN SUSDAT