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

Structure

InChI Key URGAUTXLLRGLSX-BPLDGKMQSA-N
Smiles Oc1ccc2C[C@H]3NC[C@@]4(CCCC[C@H]34)c2c1
InChI
InChI=1S/C15H19NO/c17-11-5-4-10-7-14-12-3-1-2-6-15(12,9-16-14)13(10)8-11/h4-5,8,12,14,16-17H,1-3,6-7,9H2/t12-,14-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H19N1O1
Molecular Weight 229.15
AlogP 2.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 32.26
Heavy Atoms 17.0

Cross References

Resources Reference
NORMAN SUSDAT