Molecule

ID:78048

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O
Molecular Mass
163.00136
Exact Mass
161.96392011
Charge
0
InChI
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
HFZWRUODUSTPEG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)O
Isomeric Smiles
Clc1cc(c(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
7.440408
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8728518
LogD (pH = 7.4)
2.5992773
Log P
2.87777
Molar Refractivity
37.6485
Polarizability
14.748643
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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