Molecule

ID:84283

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₄N₃O₂
Molecular Mass
379.02558
Exact Mass
376.9292372
Charge
0
InChI
InChI=1S/C13H7Cl4N3O2/c14-9-2-1-3-10(15)8(9)6-18-22-13(21)19-7-4-11(16)20-12(17)5-7/h1-6H,(H,19,20,21)
InChIKey
YDANLJXFSXYQLG-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)O/N=C/c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)O/N=C/c1c(cccc1Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.966813
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
5.3846803
LogD (pH = 7.4)
5.3846693
Log P
5.3846807
Molar Refractivity
89.9319
Polarizability
33.177536
Polar Surface Area
63.58
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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