Molecule

ID:77109

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃N
Molecular Mass
277.40332
Exact Mass
277.18304974
Charge
0
InChI
InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
InChIKey
ZGOWXOZNUNZPAV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
N#Cc1ccc(cc1)c1ccc(cc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.6574006
LogD (pH = 7.4)
6.6574006
Log P
6.6574006
Molar Refractivity
89.563
Polarizability
36.103973
Polar Surface Area
23.79
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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