Molecule

ID:35392

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃
Molecular Mass
181.27796
Exact Mass
181.15789762
Charge
0
InChI
InChI=1S/C10H19N3/c1-5-13-9(3)10(6-7-11-4)8(2)12-13/h11H,5-7H2,1-4H3
InChIKey
NEXIZBOKORPSRK-UHFFFAOYSA-N
Canonic Smiles
CNCCc1c(C)nn(c1C)CC
Isomeric Smiles
n1n(c(c(c1C)CCNC)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.280111
LogD (pH = 7.4)
-1.5214025
Log P
0.9358553
Molar Refractivity
67.4542
Polarizability
21.236193
Polar Surface Area
29.85
Rotatable Bonds
4
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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