Molecule

ID:13172

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N
Molecular Mass
239.35534
Exact Mass
239.16739968
Charge
0
InChI
InChI=1S/C17H21N/c1-14(2)17-10-8-16(9-11-17)13-18-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKey
WXMQWRUCKUXXPJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNCc1ccccc1)C
Isomeric Smiles
c1cccc(c1)CNCc1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4031346
LogD (pH = 7.4)
2.7602067
Log P
4.5010767
Molar Refractivity
78.1094
Polarizability
30.697918
Polar Surface Area
12.03
Rotatable Bonds
5
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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