Molecule

ID:33860

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃
Molecular Mass
167.25138
Exact Mass
167.14224756
Charge
0
InChI
InChI=1S/C9H17N3/c1-5-12-8(3)9(6-10-4)7(2)11-12/h10H,5-6H2,1-4H3
InChIKey
GMTGJNZXFRIXQA-UHFFFAOYSA-N
Canonic Smiles
CNCc1c(C)nn(c1C)CC
Isomeric Smiles
c1(c(n(nc1C)CC)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4515646
LogD (pH = 7.4)
-1.0949018
Log P
0.64719415
Molar Refractivity
62.6992
Polarizability
19.468416
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
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Molecule Details
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References
Bioactivity
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