Molecule

ID:80986

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₄NO
Molecular Mass
284.9541
Exact Mass
282.91252451
Charge
0
InChI
InChI=1S/C9H5Cl4NO/c10-5-1-3-6(4-2-5)14-9(15)7(11)8(12)13/h1-4H,(H,14,15)
InChIKey
VNYJPLUXYCTVIW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1ccc(cc1)Cl)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.771773
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7145746
LogD (pH = 7.4)
3.714573
Log P
3.7145746
Molar Refractivity
75.5644
Polarizability
24.411354
Polar Surface Area
29.1
Rotatable Bonds
2
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