Molecule

ID:63220

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2
InChIKey
TWCGCUQPXQOQCA-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccnn1
Isomeric Smiles
n1c(CCl)cccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44443485
LogD (pH = 7.4)
0.4445164
Log P
0.4445174
Molar Refractivity
33.1091
Polarizability
12.23342
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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