Molecule
ID:14260
General Information
Molecular Formula
C₁₃H₁₁Cl₂NO₂
Molecular Mass
284.13794
Exact Mass
283.01668396
Charge
0
InChI
InChI=1S/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
InChIKey
CBSRXMMJHDMLKI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)C1C=CCC1C(N2)C(=O)O
Isomeric Smiles
C12c3c(NC(C1CC=C2)C(=O)O)c(cc(c3)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.6849475
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2833943
LogD (pH = 7.4)
-0.21208529
Log P
3.0994232
Molar Refractivity
72.5375
Polarizability
26.977278
Polar Surface Area
49.33
Rotatable Bonds
1
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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