Molecule

ID:70389

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃
Molecular Mass
159.6167
Exact Mass
159.05632502
Charge
0
InChI
InChI=1S/C6H9N3.ClH/c7-6-3-5(8-9-6)4-1-2-4;/h3-4H,1-2H2,(H3,7,8,9);1H
InChIKey
YWNDZOPEUJWLML-UHFFFAOYSA-N
Canonic Smiles
Nc1[nH]nc(c1)C1CC1.Cl
Isomeric Smiles
[nH]1nc(cc1N)C1CC1.Cl
Calculated Properties
JChem
Acid pKa
16.08534
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.64539826
LogD (pH = 7.4)
0.66602266
Log P
0.666292
Molar Refractivity
37.1024
Polarizability
12.98615
Polar Surface Area
54.7
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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