Molecule

ID:25112

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-3-9-5-8-6-10-11(4-2)7-8/h6-7,9H,3-5H2,1-2H3
InChIKey
FZZKADOEHOISDP-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cnn(c1)CC
Isomeric Smiles
n1n(cc(c1)CNCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4263687
LogD (pH = 7.4)
-1.0728132
Log P
0.6730706
Molar Refractivity
57.7066
Polarizability
17.785803
Polar Surface Area
29.85
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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