Structure

InChI Key GIKNHHRFLCDOEU-UHFFFAOYSA-N
Smiles CC(N)Cc1ccc(O)cc1
InChI
InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO
Molecular Weight 151.21
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 46.25
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
50-51 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 103855
ChEMBL CHEMBL1546
DrugBank DB09352
DrugCentral 1394
FDA SRS FQR280JW2N
Human Metabolome Database HMDB0060765
PubChem 3651
SureChEMBL SCHEMBL125440