Molecule

ID:79228

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₄N₂O₂
Molecular Mass
327.97884
Exact Mass
325.91833816
Charge
0
InChI
InChI=1S/C10H6Cl4N2O2/c11-5-1-2-8(6(12)3-5)16-15-4-7(13)9(14)10(17)18/h1-4,16H,(H,17,18)
InChIKey
SBSRULZLMIEKQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)N/N=C/C(=C(/C(=O)O)\Cl)/Cl
Isomeric Smiles
N(=C\C(=C(\C(=O)O)/Cl)\Cl)/Nc1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
3.091653
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5092918
LogD (pH = 7.4)
0.4366051
Log P
3.7094612
Molar Refractivity
74.6115
Polarizability
27.553312
Polar Surface Area
61.69
Rotatable Bonds
4
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