Molecule

ID:86608

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)8-3-2-7(12)4-9(8)13/h2-5H,1H3
InChIKey
APPDMIAJOUWXEQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1noc(c1)C(=O)C
Isomeric Smiles
n1c(c2ccc(cc2Cl)Cl)cc(o1)C(=O)C
Calculated Properties
JChem
Acid pKa
13.494058
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
24.795216
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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