Molecule

ID:24840

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂
Molecular Mass
116.5489
Exact Mass
116.01412585
Charge
0
InChI
InChI=1S/C4H5ClN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)
InChIKey
HUKMIFHEPZRLMM-UHFFFAOYSA-N
Canonic Smiles
Clc1n[nH]c(c1)C
Isomeric Smiles
n1c(cc([nH]1)C)Cl
Calculated Properties
JChem
Acid pKa
10.759827
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7273264
LogD (pH = 7.4)
0.7276637
Log P
0.7278553
Molar Refractivity
29.1428
Polarizability
10.842969
Polar Surface Area
28.68
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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