Molecule

ID:44894

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClIN₂
Molecular Mass
264.45095
Exact Mass
263.89512375
Charge
0
InChI
InChI=1S/C6H2ClIN2/c7-6-4(3-9)5(8)1-2-10-6/h1-2H
InChIKey
BQFOSZGLMPGGLY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(I)ccnc1Cl
Isomeric Smiles
c1cnc(c(c1I)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.364836
LogD (pH = 7.4)
2.364836
Log P
2.364836
Molar Refractivity
48.8513
Polarizability
18.606459
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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