Molecule

ID:63214

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKey
GFHPSQFCHUIFTO-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnccn1
Isomeric Smiles
n1ccncc1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.20661207
LogD (pH = 7.4)
0.20661491
Log P
0.20661494
Molar Refractivity
31.0889
Polarizability
12.225669
Polar Surface Area
25.78
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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