Molecule

ID:65792

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
InChIKey
CKUVSPQGYLELRG-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(n1)Cl
Isomeric Smiles
Clc1nc(cnc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.49349222
LogD (pH = 7.4)
0.49349296
Log P
0.493493
Molar Refractivity
32.2018
Polarizability
12.277773
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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