Molecule

ID:89718

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂
Molecular Mass
138.55442
Exact Mass
137.99847579
Charge
0
InChI
InChI=1S/C6H3ClN2/c1-2-5-6(7)9-4-3-8-5/h1,3-4H
InChIKey
JUAUUZGANIEVSA-UHFFFAOYSA-N
Canonic Smiles
C#Cc1nccnc1Cl
Isomeric Smiles
n1c(c(ncc1)C#C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.89880836
LogD (pH = 7.4)
0.8988084
Log P
0.8988084
Molar Refractivity
32.4106
Polarizability
13.101737
Polar Surface Area
25.78
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
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References
Bioactivity
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