Molecule

ID:112920

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
HBTDFZYBFUTDRP-UHFFFAOYSA-N
Canonic Smiles
N#CC(NCc1ccccc1)(C)C
Isomeric Smiles
N#CC(NCc1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.821413
LogD (pH = 7.4)
2.0648727
Log P
2.069057
Molar Refractivity
53.5771
Polarizability
20.927168
Polar Surface Area
35.82
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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