Molecule

ID:84263

General Information
Structure
Molecular Formula
C₁₄H₉Cl₄N₃O₂
Molecular Mass
393.05216
Exact Mass
390.94488726
Charge
0
InChI
InChI=1S/C14H9Cl4N3O2/c1-6-4-10(17)20-12(18)11(6)13(22)21-14(23)19-9-3-2-7(15)5-8(9)16/h2-5H,1H3,(H2,19,21,22,23)
InChIKey
JNSQLNCLKPAQRY-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(C)cc(nc1Cl)Cl)Nc1ccc(cc1Cl)Cl
Isomeric Smiles
N(C(=O)c1c(cc(nc1Cl)Cl)C)C(=O)Nc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
6.8807797
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.8547835
LogD (pH = 7.4)
4.25435
Log P
4.8724756
Molar Refractivity
94.0602
Polarizability
34.54876
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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