Molecule

ID:70307

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-8-3-7-4(6)2-5(8)9/h2-3H,1H3
InChIKey
IRYLYRQCDCQZHE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c(=O)c1)C
Isomeric Smiles
c1n(c(=O)cc(n1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.33520457
LogD (pH = 7.4)
0.33520463
Log P
0.33520463
Molar Refractivity
44.6061
Polarizability
12.849973
Polar Surface Area
32.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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