Molecule

ID:57196

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-3-4-7(9)8-10-5-6-11(8)2/h5-7H,3-4,9H2,1-2H3
InChIKey
FBTHRJBKKWLZTR-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1nccn1C)N
Isomeric Smiles
n1(c(ncc1)C(CCC)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8340899
LogD (pH = 7.4)
-0.2356416
Log P
0.8132421
Molar Refractivity
45.3288
Polarizability
17.793371
Polar Surface Area
43.84
Rotatable Bonds
3
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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