Structure

InChI Key CFBVGSWSOJBYGC-ZYHUDNBSSA-N
Smile N[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O
InChI
InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14ClNO2
Molecular Weight 239.7
AlogP 1.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 1 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650718
SureChEMBL SCHEMBL14866649