Molecule

ID:73334

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O
Molecular Mass
163.00136
Exact Mass
161.96392011
Charge
0
InChI
InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
WDNBURPWRNALGP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(cc(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
8.35551
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8771684
LogD (pH = 7.4)
2.8324435
Log P
2.87777
Molar Refractivity
37.6485
Polarizability
14.759377
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
No Data Available
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Molecule Details
References
Bioactivity
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