Molecule

ID:111712

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKey
WBGPDYJIPNTOIB-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
CCN(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7666377
LogD (pH = 7.4)
2.331728
Log P
3.9959238
Molar Refractivity
73.9619
Polarizability
28.935741
Polar Surface Area
3.24
Rotatable Bonds
5
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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