Molecule

ID:23142

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₃N₂O₂
Molecular Mass
359.63492
Exact Mass
358.00426071
Charge
0
InChI
InChI=1S/C15H13Cl3N2O2/c1-8(22-14-5-2-9(16)6-12(14)18)15(21)20-10-3-4-11(17)13(19)7-10/h2-8H,19H2,1H3,(H,20,21)
InChIKey
SAQCWCISHOSSPB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(C(=O)Nc1ccc(c(c1)N)Cl)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1c(cc(cc1)Cl)Cl)C
Calculated Properties
JChem
Acid pKa
12.6904545
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.2796082
LogD (pH = 7.4)
4.279827
Log P
4.279832
Molar Refractivity
90.4918
Polarizability
34.169346
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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