Molecule

ID:41367

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO₂
Molecular Mass
220.05268
Exact Mass
218.98538383
Charge
0
InChI
InChI=1S/C8H7Cl2NO2/c1-4(12)11-7-3-8(13)6(10)2-5(7)9/h2-3,13H,1H3,(H,11,12)
InChIKey
KKTTWHOBHAIWDY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(O)c(cc1Cl)Cl
Isomeric Smiles
c1(cc(c(cc1Cl)Cl)O)NC(=O)C
Calculated Properties
JChem
Acid pKa
7.2216744
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1073747
LogD (pH = 7.4)
1.7209913
Log P
2.1154802
Molar Refractivity
52.5115
Polarizability
19.703447
Polar Surface Area
49.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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