Molecule

ID:13420

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-2-6-11(5-1)13-9-10-4-3-7-12-8-10/h3-4,7-8,11,13H,1-2,5-6,9H2
InChIKey
UDEXMRQTOXSRFR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCc1cccnc1
Isomeric Smiles
c1ccc(cn1)CNC1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5179272
LogD (pH = 7.4)
-0.49048084
Log P
1.668624
Molar Refractivity
53.5623
Polarizability
21.29609
Polar Surface Area
24.92
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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