Molecule

ID:58755

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-9-5-3-4-8-6-10-11(2)7-8/h6-7,9H,3-5H2,1-2H3
InChIKey
SAGFVAVKFYEIOV-UHFFFAOYSA-N
Canonic Smiles
CNCCCc1cnn(c1)C
Isomeric Smiles
n1(ncc(c1)CCCNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.534232
LogD (pH = 7.4)
-1.9666271
Log P
0.6926846
Molar Refractivity
57.5654
Polarizability
17.710804
Polar Surface Area
29.85
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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