Molecule

ID:124770

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂O₃
Molecular Mass
257.06954
Exact Mass
255.96939941
Charge
0
InChI
InChI=1S/C11H6Cl2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey
GNXLBNMHCYYSPU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
o1c(ccc1c1cc(c(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1388175
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1318431
LogD (pH = 7.4)
0.010792178
Log P
3.4663913
Molar Refractivity
60.3284
Polarizability
24.30139
Polar Surface Area
50.44
Rotatable Bonds
2
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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