Molecule

ID:13419

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h3-4,7-8,10,13H,1-2,5-6,9H2
InChIKey
KVRUQMQYGGCZBR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCc1ccccn1
Isomeric Smiles
c1cnc(cc1)CNC1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2273262
LogD (pH = 7.4)
0.32229957
Log P
1.750096
Molar Refractivity
53.0401
Polarizability
21.296957
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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