Molecule

ID:77108

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅N
Molecular Mass
291.4299
Exact Mass
291.19869981
Charge
0
InChI
InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3
InChIKey
CSQPODPWWMOTIY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
N#Cc1ccc(cc1)c1ccc(cc1)CCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.1019692
LogD (pH = 7.4)
7.1019692
Log P
7.1019692
Molar Refractivity
94.164
Polarizability
37.95024
Polar Surface Area
23.79
Rotatable Bonds
8
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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