Molecule

ID:16378

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂
Molecular Mass
138.55442
Exact Mass
137.99847579
Charge
0
InChI
InChI=1S/C6H3ClN2/c7-6-3-1-2-5(4-8)9-6/h1-3H
InChIKey
PGZHSVWXFKKCNR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(n1)Cl
Isomeric Smiles
c1c(nc(cc1)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8217417
LogD (pH = 7.4)
1.8217417
Log P
1.8217417
Molar Refractivity
35.1168
Polarizability
13.221776
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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