Molecule

ID:82053

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆Cl₃N₃O₃
Molecular Mass
392.66484
Exact Mass
391.02572443
Charge
0
InChI
InChI=1S/C15H16Cl3N3O3/c1-3-24-14(23)19-12(15(16,17)18)11-9(2)20-21(13(11)22)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,19,23)
InChIKey
IAOAPDJOHWRFIF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(C(Cl)(Cl)Cl)C1C(=NN(C1=O)c1ccccc1)C
Isomeric Smiles
N1(c2ccccc2)C(=O)C(C(C(Cl)(Cl)Cl)NC(=O)OCC)C(=N1)C
Calculated Properties
JChem
Acid pKa
9.447749
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1118546
LogD (pH = 7.4)
3.108082
Log P
3.1119027
Molar Refractivity
92.9399
Polarizability
35.707096
Polar Surface Area
71.0
Rotatable Bonds
6
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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