Molecule

ID:24292

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃
Molecular Mass
161.20374
Exact Mass
161.09529737
Charge
0
InChI
InChI=1S/C9H11N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,6,8H2
InChIKey
QLXCYILNQJKHLM-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCc1cccnc1
Isomeric Smiles
N#CCCNCc1cnccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3871864
LogD (pH = 7.4)
-0.049020443
Log P
0.08686713
Molar Refractivity
46.9124
Polarizability
18.160189
Polar Surface Area
48.71
Rotatable Bonds
4
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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