Molecule

ID:40932

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂
Molecular Mass
205.03804
Exact Mass
203.97448479
Charge
0
InChI
InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,11H,4H2
InChIKey
VEQBTDISCZJNID-UHFFFAOYSA-N
Canonic Smiles
OCC(=O)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)Cl)Cl)C(=O)CO
Calculated Properties
JChem
Acid pKa
13.766646
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9217347
LogD (pH = 7.4)
1.9217345
Log P
1.9217347
Molar Refractivity
47.7726
Polarizability
18.549417
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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