Structure

InChI Key JPYQFYIEOUVJDU-UHFFFAOYSA-N
Smile O=C(CCCl)NCc1ccccc1
InChI
InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClNO
Molecular Weight 197.66
AlogP 1.93
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134859
ChEMBL CHEMBL64195
DrugBank DB09011
DrugCentral 291
EPA CompTox DTXSID5057755
FDA SRS F5N0ALI65V
PubChem 10391
SureChEMBL SCHEMBL35199
ZINC ZINC000001694184