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

Structure

InChI Key MTZGKVIEUWOMLS-UHFFFAOYSA-N
Smiles CC(C)(C)CC(C)(C)N(c1cccc(O)c1O)c1cccc2ccccc12
InChI
InChI=1S/C24H29NO2/c1-23(2,3)16-24(4,5)25(20-14-9-15-21(26)22(20)27)19-13-8-11-17-10-6-7-12-18(17)19/h6-15,26-27H,16H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N1O2
Molecular Weight 363.22
AlogP 6.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 43.7
Heavy Atoms 27.0

Cross References

Resources Reference
NORMAN SUSDAT