Molecule

ID:86408

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₄N₃O₂
Molecular Mass
379.02558
Exact Mass
376.9292372
Charge
0
InChI
InChI=1S/C13H7Cl4N3O2/c14-7-2-1-3-8(15)11(7)12(18)20-22-13(21)6-4-9(16)19-10(17)5-6/h1-5H,(H2,18,20)
InChIKey
GGIHANZFULJJGQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)O/N=C(/c1c(Cl)cccc1Cl)\N
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)O/N=C(/c1c(cccc1Cl)Cl)\N)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.7264166
LogD (pH = 7.4)
4.72646
Log P
4.7264605
Molar Refractivity
88.0871
Polarizability
33.169724
Polar Surface Area
77.57
Rotatable Bonds
4
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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