Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AY28O44JGD

Structure

InChI Key SBUQZKJEOOQSBV-UHFFFAOYSA-N
Smiles CNC(C)Cc1ccc(O)cc1
InChI
InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 1.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.26
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 370-14-9
NORMAN SUSDAT
FDA SRS AY28O44JGD
PubChem 4655
ChemSpider 4494.0