Molecule

ID:24296

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃
Molecular Mass
169.26726
Exact Mass
169.15789762
Charge
0
InChI
InChI=1S/C9H19N3/c1-3-12(4-2)9-8-11-7-5-6-10/h11H,3-5,7-9H2,1-2H3
InChIKey
SNLMPDMSCXQJJZ-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCCN(CC)CC
Isomeric Smiles
N#CCCNCCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.988152
LogD (pH = 7.4)
-1.4872999
Log P
0.31232688
Molar Refractivity
51.973
Polarizability
20.20814
Polar Surface Area
39.06
Rotatable Bonds
7
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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