Molecule
ID:114327
General Information
Molecular Formula
C₁₀H₆Cl₂N₂
Molecular Mass
225.07404
Exact Mass
223.99080356
Charge
0
InChI
InChI=1S/C10H6Cl2N2/c11-8-3-1-7(2-4-8)9-5-10(12)14-6-13-9/h1-6H
InChIKey
MKNGXRJNEVAVAS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ncnc(c1)Cl
Isomeric Smiles
c1c(ncnc1Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5110667
LogD (pH = 7.4)
3.5110776
Log P
3.5110776
Molar Refractivity
58.1574
Polarizability
23.28233
Polar Surface Area
25.78
Rotatable Bonds
1
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
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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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