Molecule

ID:70062

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O₂
Molecular Mass
191.01146
Exact Mass
189.95883473
Charge
0
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
QVTQYSFCFOGITD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)Cl
Isomeric Smiles
C(=O)(c1c(ccc(c1)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
2.8834932
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.27142912
LogD (pH = 7.4)
-0.6479757
Log P
2.838918
Molar Refractivity
42.9238
Polarizability
16.545218
Polar Surface Area
37.3
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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