Molecule

ID:63212

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2
InChIKey
JTDIIDXRVCNTDU-UHFFFAOYSA-N
Canonic Smiles
ClCc1cncnc1
Isomeric Smiles
n1cncc(c1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6369528
LogD (pH = 7.4)
0.63697726
Log P
0.63697755
Molar Refractivity
32.5892
Polarizability
12.228002
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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