Molecule

ID:18343

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-7-10(6-11-9-4-5-9)8(2)13(3)12-7/h9,11H,4-6H2,1-3H3
InChIKey
GYYTUCAIROQKGJ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1CNC1CC1)C)C
Isomeric Smiles
c1(c(n(nc1C)C)C)CNC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2576942
LogD (pH = 7.4)
-0.7501673
Log P
0.75595075
Molar Refractivity
65.1618
Polarizability
20.580223
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
No Data Available
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Molecule Details
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References
Bioactivity
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