Molecule

ID:109419

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O
Molecular Mass
163.00136
Exact Mass
161.96392011
Charge
0
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
RANCECPPZPIPNO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)O)Cl
Isomeric Smiles
Oc1cc(Cl)ccc1Cl
Calculated Properties
JChem
Acid pKa
7.227825
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8697772
LogD (pH = 7.4)
2.4868975
Log P
2.87777
Molar Refractivity
37.6485
Polarizability
14.751507
Polar Surface Area
20.23
Rotatable Bonds
0
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
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Molecule Details
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References
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Bioactivity
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