Molecule

ID:86614

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂NO₂
Molecular Mass
256.08478
Exact Mass
254.98538383
Charge
0
InChI
InChI=1S/C11H7Cl2NO2/c1-6(15)11-5-10(14-16-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3
InChIKey
JSOQKPJDRMKQOZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1onc(c1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1c(c2ccc(c(c2)Cl)Cl)cc(o1)C(=O)C
Calculated Properties
JChem
Acid pKa
13.505508
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0566049
LogD (pH = 7.4)
3.0566046
Log P
3.0566049
Molar Refractivity
62.1541
Polarizability
24.808321
Polar Surface Area
43.1
Rotatable Bonds
2
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