Molecule

ID:86489

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NO
Molecular Mass
202.0374
Exact Mass
200.97481915
Charge
0
InChI
InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
InChIKey
PNROREDTZJCOHF-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1cc(Cl)cc(c1)Cl
Isomeric Smiles
N#CCOc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.559596
LogD (pH = 7.4)
2.559596
Log P
2.559596
Molar Refractivity
47.1947
Polarizability
18.355968
Polar Surface Area
33.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation