Molecule
ID:76015
General Information
Molecular Formula
C₁₁H₆Cl₂O₄
Molecular Mass
273.06894
Exact Mass
271.96431403
Charge
0
InChI
InChI=1S/C11H6Cl2O4/c12-6-3-7(13)5-8(4-6)16-10-2-1-9(17-10)11(14)15/h1-5H,(H,14,15)
InChIKey
XPYLPZDZOMBESB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)Oc1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)Oc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.1357565
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.151342
LogD (pH = 7.4)
0.032666538
Log P
3.4887428
Molar Refractivity
60.8088
Polarizability
23.801699
Polar Surface Area
59.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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