Molecule
ID:84274
General Information
Molecular Formula
C₁₃H₈Cl₄N₄O
Molecular Mass
378.04082
Exact Mass
375.94522162
Charge
0
InChI
InChI=1S/C13H8Cl4N4O/c14-9-2-1-3-10(15)8(9)6-18-21-13(22)19-7-4-11(16)20-12(17)5-7/h1-6H,(H2,19,20,21,22)
InChIKey
GQCLZVQZENNPRH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)N/N=C/c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)N/N=C/c1c(cccc1Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.052914
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.6555185
LogD (pH = 7.4)
4.655432
Log P
4.65552
Molar Refractivity
91.8817
Polarizability
33.587605
Polar Surface Area
66.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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