Molecule

ID:92276

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃
Molecular Mass
169.26726
Exact Mass
169.15789762
Charge
0
InChI
InChI=1S/C9H19N3/c10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8,10H2
InChIKey
QYHRIASMJNLWHJ-UHFFFAOYSA-N
Canonic Smiles
NN1CCN(CC1)C1CCCC1
Isomeric Smiles
N1(CCN(C2CCCC2)CC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8353708
LogD (pH = 7.4)
-1.1887752
Log P
0.33380124
Molar Refractivity
51.6408
Polarizability
20.235968
Polar Surface Area
32.5
Rotatable Bonds
1
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
References
Bioactivity
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