Molecule

ID:39671

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅Cl₃N₂
Molecular Mass
283.5405
Exact Mass
281.95183121
Charge
0
InChI
InChI=1S/C12H5Cl3N2/c13-9-3-1-7(5-10(9)14)11-4-2-8(6-16)12(15)17-11/h1-5H
InChIKey
GWNZPDTZGHASFT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1Cl)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1c(c(cc(c1)c1nc(c(cc1)C#N)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6770563
LogD (pH = 7.4)
4.6770563
Log P
4.6770563
Molar Refractivity
69.8626
Polarizability
27.933111
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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