Molecule

ID:109597

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
InChIKey
VIACAIAQHPLINF-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)C)Cc1ccccc1
Isomeric Smiles
CCN(Cc1ccccc1)c1cccc(C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6333046
LogD (pH = 7.4)
4.675428
Log P
4.675992
Molar Refractivity
74.889
Polarizability
28.443956
Polar Surface Area
3.24
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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