Structure

InChI Key SKPLBLUECSEIFO-UHFFFAOYSA-N
Smile NC(=O)OCC(O)COc1ccc(Cl)cc1
InChI
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClNO4
Molecular Weight 245.66
AlogP 1.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 81.78
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 47

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 886-74-8
ChEBI 3643
ChEMBL CHEMBL607710
DrugBank DB14656
DrugCentral 614
EPA CompTox DTXSID5022803
FDA SRS HQC4WI89YG
KEGG C07930
PubChem 2724
SureChEMBL SCHEMBL34492