Molecule

ID:22842

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₂
Molecular Mass
325.18986
Exact Mass
324.04323306
Charge
0
InChI
InChI=1S/C15H14Cl2N2O2/c1-9(21-14-7-2-10(16)8-13(14)17)15(20)19-12-5-3-11(18)4-6-12/h2-9H,18H2,1H3,(H,19,20)
InChIKey
XUBJFRBUNJIINK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)NC(=O)C(Oc1ccc(cc1Cl)Cl)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C(Oc1c(cc(cc1)Cl)Cl)C
Calculated Properties
JChem
Acid pKa
13.337909
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.667461
LogD (pH = 7.4)
3.675681
Log P
3.6757874
Molar Refractivity
85.687
Polarizability
32.247887
Polar Surface Area
64.35
Rotatable Bonds
4
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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