Molecule

ID:65440

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
InChIKey
XOEFQKGFPDZVKF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(nc1Cl)Cl
Isomeric Smiles
c1(c(ccc(n1)Cl)C(=O)C)Cl
Calculated Properties
JChem
Acid pKa
15.136297
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9616646
LogD (pH = 7.4)
1.9616646
Log P
1.9616646
Molar Refractivity
46.0361
Polarizability
17.139587
Polar Surface Area
29.96
Rotatable Bonds
1
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