Molecule

ID:133057

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClN₂
Molecular Mass
104.5382
Exact Mass
104.01412585
Charge
0
InChI
InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H
InChIKey
JDIIGWSSTNUWGK-UHFFFAOYSA-N
Canonic Smiles
c1ncc[nH]1.Cl
Isomeric Smiles
c1cnc[nH]1.Cl
Calculated Properties
JChem
Acid pKa
13.396939
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.69591075
LogD (pH = 7.4)
-0.24231982
Log P
-0.14522421
Molar Refractivity
19.0128
Polarizability
7.142212
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
References
Bioactivity
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