Molecule

ID:85179

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄Cl₂N₂
Molecular Mass
305.20176
Exact Mass
304.05340382
Charge
0
InChI
InChI=1S/C16H14Cl2N2/c1-12(19-14-10-6-3-7-11-14)20-15(16(17)18)13-8-4-2-5-9-13/h2-11H,1H3,(H,19,20)
InChIKey
YIWGFKZXZGNVCT-UHFFFAOYSA-N
Canonic Smiles
C/C(=N\C(=C(Cl)Cl)c1ccccc1)/Nc1ccccc1
Isomeric Smiles
N(=C(\Nc1ccccc1)/C)/C(=C(Cl)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8798897
LogD (pH = 7.4)
4.054432
Log P
4.1463013
Molar Refractivity
97.6497
Polarizability
32.648922
Polar Surface Area
24.39
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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