Molecule

ID:109237

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₅N
Molecular Mass
289.4986
Exact Mass
289.27695013
Charge
0
InChI
InChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-12-15-19(2)21-18-20-16-13-11-14-17-20/h11,13-14,16-17,19,21H,3-10,12,15,18H2,1-2H3
InChIKey
JUARPGXKJLXOCX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(NCc1ccccc1)C
Isomeric Smiles
CCCCCCCCCCCC(C)NCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6089888
LogD (pH = 7.4)
4.3020153
Log P
6.828618
Molar Refractivity
94.4064
Polarizability
37.760574
Polar Surface Area
12.03
Rotatable Bonds
13
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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