Molecule

ID:57422

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂
Molecular Mass
205.03804
Exact Mass
203.97448479
Charge
0
InChI
InChI=1S/C8H6Cl2O2/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3,11H,4H2
InChIKey
YCAQBCPDPOPUMU-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(c(c1)Cl)O
Isomeric Smiles
c1c(cc(c(c1)O)Cl)C(=O)CCl
Calculated Properties
JChem
Acid pKa
6.222584
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.294028
LogD (pH = 7.4)
1.2118412
Log P
2.3687165
Molar Refractivity
47.9997
Polarizability
18.47822
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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