Molecule

ID:13730

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
InChIKey
BLBDTBCGPHPIJK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc(c1)Cl
Isomeric Smiles
c1cc(cc(n1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.63790977
LogD (pH = 7.4)
0.7492322
Log P
0.7508693
Molar Refractivity
34.4676
Polarizability
12.515003
Polar Surface Area
38.91
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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