Molecule

ID:115650

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂NO₂
Molecular Mass
230.0475
Exact Mass
228.96973377
Charge
0
InChI
InChI=1S/C9H5Cl2NO2/c1-12-7-5(8(13)9(12)14)2-4(10)3-6(7)11/h2-3H,1H3
InChIKey
ICPLFAXXZDVXCN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)C(=O)C(=O)N2C
Isomeric Smiles
N1(C(=O)C(=O)c2c1c(cc(c2)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.023699
LogD (pH = 7.4)
2.023699
Log P
2.023699
Molar Refractivity
53.2005
Polarizability
20.266045
Polar Surface Area
37.38
Rotatable Bonds
0
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