Molecule

ID:84296

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₄N₄O
Molecular Mass
366.03012
Exact Mass
363.94522162
Charge
0
InChI
InChI=1S/C12H8Cl4N4O/c13-6-1-7(14)3-9(2-6)19-20-12(21)17-8-4-10(15)18-11(16)5-8/h1-5,19H,(H2,17,18,20,21)
InChIKey
PTURZCZJZUKOJJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(Cl)cc(c1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)NNc1cc(cc(c1)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.891056
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
4.618474
LogD (pH = 7.4)
4.618461
Log P
4.6184745
Molar Refractivity
88.4632
Polarizability
32.170273
Polar Surface Area
66.05
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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