Molecule

ID:86841

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₄N₂O
Molecular Mass
336.00084
Exact Mass
333.92342354
Charge
0
InChI
InChI=1S/C12H6Cl4N2O/c13-6-1-7(14)3-9(2-6)18-12(19)10-4-8(15)5-17-11(10)16/h1-5H,(H,18,19)
InChIKey
MNGWLIWWWKUOOE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)NC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
N(c1cc(cc(c1)Cl)Cl)C(=O)c1cc(cnc1Cl)Cl
Calculated Properties
JChem
Acid pKa
9.584667
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.48378
LogD (pH = 7.4)
4.481126
Log P
4.4838142
Molar Refractivity
79.7151
Polarizability
29.784813
Polar Surface Area
41.99
Rotatable Bonds
2
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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