Molecule

ID:84261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₃N₃O₂
Molecular Mass
358.6071
Exact Mass
356.98385962
Charge
0
InChI
InChI=1S/C14H10Cl3N3O2/c1-7-6-10(16)19-12(17)11(7)13(21)20-14(22)18-9-4-2-8(15)3-5-9/h2-6H,1H3,(H2,18,20,21,22)
InChIKey
DJXXGPXLUUEXAS-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(C)cc(nc1Cl)Cl)Nc1ccc(cc1)Cl
Isomeric Smiles
N(C(=O)c1c(cc(nc1Cl)Cl)C)C(=O)Nc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
6.9158316
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.2520857
LogD (pH = 7.4)
3.6757483
Log P
4.2684307
Molar Refractivity
89.2554
Polarizability
32.578304
Polar Surface Area
71.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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