Molecule

ID:83305

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂O₃
Molecular Mass
273.112
Exact Mass
272.00069954
Charge
0
InChI
InChI=1S/C12H10Cl2O3/c1-6-3-4-7(2)8(5-6)11(15)9(13)10(14)12(16)17/h3-5H,1-2H3,(H,16,17)
InChIKey
SZYIVTYQGGBQGW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C(=O)/C(=C(/C(=O)O)\Cl)/Cl)C
Isomeric Smiles
O=C(c1cc(ccc1C)C)/C(=C(/C(=O)O)\Cl)/Cl
Calculated Properties
JChem
Acid pKa
2.3976758
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5533875
LogD (pH = 7.4)
0.0029788655
Log P
3.5180721
Molar Refractivity
68.0891
Polarizability
25.340027
Polar Surface Area
54.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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