Molecule

ID:136998

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₄
Molecular Mass
313.1328
Exact Mass
311.99561416
Charge
0
InChI
InChI=1S/C14H10Cl2O4/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8,14H,(H,17,18)
InChIKey
ZKNSZZXBPSICFK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl
Isomeric Smiles
c1cc(ccc1OC(C(=O)O)Oc1ccc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
2.7315857
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8473846
LogD (pH = 7.4)
1.0483333
Log P
4.547059
Molar Refractivity
73.6737
Polarizability
29.291119
Polar Surface Area
55.76
Rotatable Bonds
5
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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