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

Structure

InChI Key ICBZSKCTKKUQSY-UHFFFAOYSA-N
Smiles Cl.CNC(C)C(O)c1ccc(O)cc1
InChI
InChI=1/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16ClNO2
Molecular Weight 217.09
AlogP 1.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 52.49
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 942-51-8
NORMAN SUSDAT