Molecule

ID:41847

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂N₂
Molecular Mass
249.09544
Exact Mass
247.99080356
Charge
0
InChI
InChI=1S/C12H6Cl2N2/c13-11-3-1-2-8(5-11)10-4-9(6-15)12(14)16-7-10/h1-5,7H
InChIKey
HNQIKWUGARDOPP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(cnc1Cl)c1cccc(c1)Cl
Isomeric Smiles
c1(c(ncc(c1)c1cc(Cl)ccc1)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6871614
LogD (pH = 7.4)
3.6871614
Log P
3.6871614
Molar Refractivity
65.4298
Polarizability
26.014385
Polar Surface Area
36.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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