Molecule

ID:91166

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O
Molecular Mass
177.02794
Exact Mass
175.97957017
Charge
0
InChI
InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKey
YXEOEPYIBGTLML-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c(c(c1)Cl)O
Isomeric Smiles
Oc1c(cc(cc1Cl)C)Cl
Calculated Properties
JChem
Acid pKa
6.846999
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.372232
LogD (pH = 7.4)
2.7426074
Log P
3.3911912
Molar Refractivity
42.6897
Polarizability
16.52391
Polar Surface Area
20.23
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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