Molecule

ID:89852

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O
Molecular Mass
189.03864
Exact Mass
187.97957017
Charge
0
InChI
InChI=1S/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H
InChIKey
FGEAOSXMQZWHIQ-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccccc1)C(=O)Cl
Isomeric Smiles
ClC(c1ccccc1)C(=O)Cl
Calculated Properties
JChem
Acid pKa
14.370942
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7837572
LogD (pH = 7.4)
2.7837572
Log P
2.7837572
Molar Refractivity
45.6133
Polarizability
17.807049
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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