Molecule

ID:86261

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂N₄O
Molecular Mass
293.10824
Exact Mass
291.99186619
Charge
0
InChI
InChI=1S/C12H6Cl2N4O/c13-7-5-16-18(12(19)11(7)14)10-6-15-8-3-1-2-4-9(8)17-10/h1-6H
InChIKey
WIQUDELZHNCMPZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c(=O)c1Cl)c1cnc2c(n1)cccc2
Isomeric Smiles
n1(c2nc3c(nc2)cccc3)c(=O)c(c(cn1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5705204
LogD (pH = 7.4)
2.570523
Log P
2.5705233
Molar Refractivity
71.9237
Polarizability
28.098785
Polar Surface Area
58.45
Rotatable Bonds
1
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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