Molecule

ID:83607

General Information
Structure
Molecular Formula
C₁₅H₉Cl₂NO₂
Molecular Mass
306.14346
Exact Mass
305.00103389
Charge
0
InChI
InChI=1S/C15H9Cl2NO2/c16-11-8-4-7-10-12(11)18-14(20)15(17,13(10)19)9-5-2-1-3-6-9/h1-8H,(H,18,20)
InChIKey
BWYQHILTFICLIM-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1NC(=O)C(C2=O)(Cl)c1ccccc1
Isomeric Smiles
N1C(=O)C(c2ccccc2)(C(=O)c2cccc(c12)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.907116
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5780854
LogD (pH = 7.4)
4.5779586
Log P
4.578087
Molar Refractivity
78.7955
Polarizability
29.711027
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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