Molecule

ID:35479

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-6(9)5-11-8(3)4-7(2)10-11/h4,6H,5,9H2,1-3H3
InChIKey
FODFRQFRJYJPSO-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1nc(cc1C)C)N
Isomeric Smiles
n1(nc(cc1C)C)CC(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6643038
LogD (pH = 7.4)
-2.0148492
Log P
0.35162857
Molar Refractivity
57.0712
Polarizability
17.62895
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
References
Bioactivity
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