Molecule

ID:40535

General Information
Structure
Molecular Formula
C₁₂H₁₀Cl₂N₂O₂
Molecular Mass
285.126
Exact Mass
284.01193293
Charge
0
InChI
InChI=1S/C12H10Cl2N2O2/c1-6-11(12(17)18)7(2)16(15-6)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,17,18)
InChIKey
ZCTOHBFEFKORRJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)nn(c1C)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(nc(c(c1C)C(=O)O)C)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.2203128
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.81219625
LogD (pH = 7.4)
-0.21628498
Log P
2.8360791
Molar Refractivity
71.0267
Polarizability
27.092955
Polar Surface Area
55.12
Rotatable Bonds
2
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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