Molecule

ID:35447

General Information
Structure
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-4-9-5-8-6-11(3)10-7(8)2/h6,9H,4-5H2,1-3H3
InChIKey
WIXGONMGSHBZFS-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cn(nc1C)C
Isomeric Smiles
c1(c(nn(c1)C)C)CNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6576784
LogD (pH = 7.4)
-1.31807
Log P
0.44763282
Molar Refractivity
57.5495
Polarizability
17.704748
Polar Surface Area
29.85
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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