Molecule

ID:84486

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₄N₃O
Molecular Mass
351.01548
Exact Mass
348.93432258
Charge
0
InChI
InChI=1S/C12H7Cl4N3O/c13-7-1-2-9(8(14)5-7)18-19-12(20)6-3-10(15)17-11(16)4-6/h1-5,18H,(H,19,20)
InChIKey
LXGRKZJIJDLEQC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NNC(=O)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)C(=O)NNc1c(cc(cc1)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.475864
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.56495
LogD (pH = 7.4)
4.5649467
Log P
4.56495
Molar Refractivity
84.0019
Polarizability
30.811228
Polar Surface Area
54.02
Rotatable Bonds
3
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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