Molecule

ID:24342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,9H2,1H3
InChIKey
DNHYDVVIQFEOGM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCCC#N
Isomeric Smiles
N#CCCNC(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23342614
LogD (pH = 7.4)
1.3825129
Log P
1.7211146
Molar Refractivity
53.4881
Polarizability
20.926716
Polar Surface Area
35.82
Rotatable Bonds
4
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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