Molecule

ID:68835

General Information
Structure
MolImage
Molecular Formula
C₂H₃ClN₄
Molecular Mass
118.52502
Exact Mass
118.0046238
Charge
0
InChI
InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)
InChIKey
AGWSISOYPHROLN-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnn[nH]1
Isomeric Smiles
[nH]1nnnc1CCl
Calculated Properties
JChem
Acid pKa
6.3039827
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.62502146
LogD (pH = 7.4)
-0.31246626
Log P
0.68645716
Molar Refractivity
27.3867
Polarizability
9.263637
Polar Surface Area
54.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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