Molecule

ID:121489

General Information
Structure
MolImage
Molecular Formula
C₂H₃Cl₂N₃
Molecular Mass
139.97132
Exact Mass
138.97040247
Charge
0
InChI
InChI=1S/C2H2ClN3.ClH/c3-2-4-1-5-6-2;/h1H,(H,4,5,6);1H
InChIKey
SOBGQKIBOJADGH-UHFFFAOYSA-N
Canonic Smiles
Clc1n[nH]cn1.Cl
Isomeric Smiles
n1c(n[nH]c1)Cl.Cl
Calculated Properties
JChem
Acid pKa
8.754218
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49922267
LogD (pH = 7.4)
0.48105186
Log P
0.49946052
Molar Refractivity
24.4181
Polarizability
8.40245
Polar Surface Area
41.57
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
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Molecule Details
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References
Bioactivity
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