Molecule

ID:58190

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂
Molecular Mass
116.5489
Exact Mass
116.01412585
Charge
0
InChI
InChI=1S/C4H5ClN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKey
LCDKUXJKMAFCTI-UHFFFAOYSA-N
Canonic Smiles
Clc1cn[nH]c1C
Isomeric Smiles
[nH]1c(c(cn1)Cl)C
Calculated Properties
JChem
Acid pKa
14.374241
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0125865
LogD (pH = 7.4)
1.0128413
Log P
1.0128447
Molar Refractivity
29.1417
Polarizability
10.843079
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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