Molecule

ID:71698

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇N
Molecular Mass
223.31288
Exact Mass
223.13609955
Charge
0
InChI
InChI=1S/C16H17N/c1-2-6-13(7-3-1)16-12-17-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKey
MEXPXLPUVFBQGJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CNCCc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)CCNCC2c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.13447167
LogD (pH = 7.4)
0.74771047
Log P
3.358921
Molar Refractivity
71.9372
Polarizability
28.023077
Polar Surface Area
12.03
Rotatable Bonds
1
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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