Molecule

ID:84288

General Information
Structure
MolImage
Molecular Formula
C₁₆H₇Cl₄N₃O₄
Molecular Mass
447.05648
Exact Mass
444.91906644
Charge
0
InChI
InChI=1S/C16H7Cl4N3O4/c1-6-4-10(19)21-12(20)11(6)13(24)23-15(26)14(25)22(16(23)27)9-5-7(17)2-3-8(9)18/h2-5H,1H3
InChIKey
GWEFDKYWINUEMW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N1C(=O)C(=O)N(C1=O)C(=O)c1c(C)cc(nc1Cl)Cl)Cl
Isomeric Smiles
N1(C(=O)N(c2cc(ccc2Cl)Cl)C(=O)C1=O)C(=O)c1c(nc(cc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.673022
LogD (pH = 7.4)
4.673022
Log P
4.673022
Molar Refractivity
100.5624
Polarizability
37.803963
Polar Surface Area
87.65
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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