Molecule

ID:33862

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-4-11-7(3)8(5-9)6(2)10-11/h4-5,9H2,1-3H3
InChIKey
YTTHMHICPSKVKX-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)nn(c1C)CC
Isomeric Smiles
c1(c(n(nc1C)CC)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7125957
LogD (pH = 7.4)
-1.4646288
Log P
0.21461375
Molar Refractivity
57.9246
Polarizability
17.625076
Polar Surface Area
43.84
Rotatable Bonds
2
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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