Structure

InChI Key OLBWFRRUHYQABZ-MRVPVSSYSA-N
Smile NC(=O)OC[C@@H](O)c1ccccc1Cl
InChI
InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10ClNO3
Molecular Weight 215.64
AlogP 1.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 72.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 3 D004827 ClinicalTrials
Epilepsy, Partial, Motor 3 D020938 ClinicalTrials
Epilepsy, Complex Partial 3 D017029 ClinicalTrials
Seizures 3 D012640 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Movement Disorders 2 D009069 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 194085-75-1
ChEBI 135966
ChEMBL CHEMBL2087003
DrugBank DB12338
DrugCentral 4400
EPA CompTox DTXSID70426076
FDA SRS P7725I9V3Z
PubChem 6918474
SureChEMBL SCHEMBL729003
ZINC ZINC000030691363