Molecule

ID:76438

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O₂
Molecular Mass
191.01146
Exact Mass
189.95883473
Charge
0
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
InChIKey
RYWGPCLTVXMMHO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Oc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)OC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1912782
LogD (pH = 7.4)
3.1912782
Log P
3.1912782
Molar Refractivity
42.7082
Polarizability
16.76397
Polar Surface Area
26.3
Rotatable Bonds
2
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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