Molecule

ID:24514

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-2-12-7-4-8-14-10-11-5-3-6-13-9-11/h3,5-6,9,12,14H,2,4,7-8,10H2,1H3
InChIKey
OQPKGQCDADGEOL-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNCc1cccnc1
Isomeric Smiles
n1cc(CNCCCNCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.083753
LogD (pH = 7.4)
-3.0552695
Log P
0.3662865
Molar Refractivity
59.4875
Polarizability
23.555967
Polar Surface Area
36.95
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
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Molecule Details
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References
Bioactivity
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