Structure

InChI Key KWGRBVOPPLSCSI-WPRPVWTQSA-N
Smiles CN[C@@H](C)[C@H](O)c1ccccc1
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO
Molecular Weight 165.24
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase
- - - - 0
Enzyme
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0-0

Related Entries

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovenia

Cross References

Resources Reference
ChEBI 15407
ChEMBL CHEMBL211456
DrugBank DB01364
DrugCentral 1024
FDA SRS GN83C131XS
Human Metabolome Database HMDB0015451
Guide to Pharmacology 556
KEGG C01575
PharmGKB PA449466
PubChem 9294
SureChEMBL SCHEMBL4785
ZINC ZINC000000074836