Molecule

ID:24711

General Information
Structure
MolImage
Molecular Formula
CH₅ClN₆
Molecular Mass
136.5436
Exact Mass
136.02642187
Charge
0
InChI
InChI=1S/CH4N6.ClH/c2-3-1-4-6-7-5-1;/h2H2,(H2,3,4,5,6,7);1H
InChIKey
NYYZURNITVBPJN-UHFFFAOYSA-N
Canonic Smiles
NNc1nnn[nH]1.Cl
Isomeric Smiles
c1(nnn[nH]1)NN.Cl
Calculated Properties
JChem
Acid pKa
4.129439
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.9622723
LogD (pH = 7.4)
-2.2999463
Log P
-1.2539884
Molar Refractivity
27.4986
Polarizability
8.129405
Polar Surface Area
92.51
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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