Molecule

ID:15052

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂N₂
Molecular Mass
201.05264
Exact Mass
199.99080356
Charge
0
InChI
InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
InChIKey
UCGWYTUBYASPFG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(c(c1C)Cl)C
Isomeric Smiles
C(#N)c1c(c(c(nc1Cl)C)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6847277
LogD (pH = 7.4)
2.6847277
Log P
2.6847277
Molar Refractivity
49.9263
Polarizability
18.684439
Polar Surface Area
36.68
Rotatable Bonds
0
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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