Molecule

ID:84265

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₄N₃O₂
Molecular Mass
393.05216
Exact Mass
390.94488726
Charge
0
InChI
InChI=1S/C14H9Cl4N3O2/c1-6-5-9(17)19-12(18)10(6)13(22)21-14(23)20-11-7(15)3-2-4-8(11)16/h2-5H,1H3,(H2,20,21,22,23)
InChIKey
IETFCTSUAMYNIY-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(C)cc(nc1Cl)Cl)Nc1c(Cl)cccc1Cl
Isomeric Smiles
N(C(=O)c1c(cc(nc1Cl)Cl)C)C(=O)Nc1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
6.8484936
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.8534455
LogD (pH = 7.4)
4.2305546
Log P
4.8724756
Molar Refractivity
94.0602
Polarizability
34.563797
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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