Molecule
ID:124653
General Information
Molecular Formula
C₁₁H₆Cl₂O₃
Molecular Mass
257.06954
Exact Mass
255.96939941
Charge
0
InChI
InChI=1S/C11H6Cl2O3/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)
InChIKey
BSMKDXIJGSTBNT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)c1cccc(c1Cl)Cl
Isomeric Smiles
c1(oc(cc1)C(=O)O)c1c(c(Cl)ccc1)Cl
Calculated Properties
JChem
Acid pKa
3.131703
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1252145
LogD (pH = 7.4)
0.009687064
Log P
3.4663913
Molar Refractivity
60.3284
Polarizability
24.313564
Polar Surface Area
50.44
Rotatable Bonds
2
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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