Molecule

ID:33863

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(2)8(5-9-3)6-10-11/h6,9H,4-5H2,1-3H3
InChIKey
PGEMPURRTUBTRN-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnn(c1C)CC
Isomeric Smiles
n1n(c(c(c1)CNC)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5741522
LogD (pH = 7.4)
-1.1986271
Log P
0.51582396
Molar Refractivity
58.1077
Polarizability
17.706068
Polar Surface Area
29.85
Rotatable Bonds
3
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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