Molecule
ID:77529
General Information
Molecular Formula
C₁₀H₆Cl₂N₂
Molecular Mass
225.07404
Exact Mass
223.99080356
Charge
0
InChI
InChI=1S/C10H6Cl2N2/c11-8-4-2-1-3-7(8)9-5-6-10(12)14-13-9/h1-6H
InChIKey
UTCVANDFQGNDKQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccccc1Cl
Isomeric Smiles
n1nc(ccc1c1c(cccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2371452
LogD (pH = 7.4)
3.2371457
Log P
3.2371457
Molar Refractivity
59.1995
Polarizability
23.31424
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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