Molecule

ID:83017

General Information
Structure
Molecular Formula
C₇H₆Cl₂O₂
Molecular Mass
193.02734
Exact Mass
191.97448479
Charge
0
InChI
InChI=1S/C7H6Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2
InChIKey
DTJNPTWSVJSFRE-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(Cl)cc(c1O)Cl
Isomeric Smiles
Clc1cc(cc(c1O)CO)Cl
Calculated Properties
JChem
Acid pKa
7.848008
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1084905
LogD (pH = 7.4)
1.9791883
Log P
2.11042
Molar Refractivity
44.4644
Polarizability
17.24966
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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