Molecule

ID:16561

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2
InChIKey
RGBWBVGQZFJTEO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1ccncc1
Isomeric Smiles
N1CCC(c2ccncc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6300845
LogD (pH = 7.4)
-1.6863927
Log P
0.8606383
Molar Refractivity
49.3221
Polarizability
19.371668
Polar Surface Area
24.92
Rotatable Bonds
1
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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