Molecule

ID:92391

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3
InChIKey
WYRNRZQRKCXPLA-UHFFFAOYSA-N
Canonic Smiles
N#CCCN(c1ccccc1)CC
Isomeric Smiles
N(c1ccccc1)(CC)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1878552
LogD (pH = 7.4)
2.2107427
Log P
2.2110426
Molar Refractivity
54.9985
Polarizability
20.53105
Polar Surface Area
27.03
Rotatable Bonds
4
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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