Molecule

ID:64346

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c1-4-2-5(6)8-7-3-4/h2-3H,1H3
InChIKey
GXBWRBSCBONTKK-UHFFFAOYSA-N
Canonic Smiles
Cc1cnnc(c1)Cl
Isomeric Smiles
c1(cc(nnc1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.113433
LogD (pH = 7.4)
1.1134465
Log P
1.1134467
Molar Refractivity
34.6717
Polarizability
12.286025
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
References
Bioactivity
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