Molecule
ID:36066
General Information
Molecular Formula
C₁₂H₁₀Cl₂N₂O₃
Molecular Mass
301.1254
Exact Mass
300.00684755
Charge
0
InChI
InChI=1S/C12H10Cl2N2O3/c1-19-12(18)11-10(16-9(17)5-13)7-4-6(14)2-3-8(7)15-11/h2-4,15H,5H2,1H3,(H,16,17)
InChIKey
UIJPQDJNBYSPGM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)NC(=O)CCl)C(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
10.482061
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0245807
LogD (pH = 7.4)
3.0242636
Log P
3.0245848
Molar Refractivity
73.4683
Polarizability
28.609804
Polar Surface Area
71.19
Rotatable Bonds
4
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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