Molecule

ID:66754

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)8-3-7-4/h2-3H,1H3
InChIKey
MVAXKFAQKTWRAH-UHFFFAOYSA-N
Canonic Smiles
Cc1ncnc(c1)Cl
Isomeric Smiles
c1nc(cc(n1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0051421
LogD (pH = 7.4)
1.0053252
Log P
1.0053275
Molar Refractivity
33.1799
Polarizability
12.267741
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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