Molecule

ID:29643

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-3-4-5-6-7-15-24-22-13-9-11-20(18-22)23-14-16-25-21-12-8-10-19(2)17-21/h8-13,17-18,23H,3-7,14-16H2,1-2H3
InChIKey
CRIWXWOMOSMEFT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NCCOc1cccc(c1)C
Isomeric Smiles
c1c(NCCOc2cc(ccc2)C)cccc1OCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.096476
LogD (pH = 7.4)
6.1033406
Log P
6.103429
Molar Refractivity
105.985
Polarizability
40.788322
Polar Surface Area
30.49
Rotatable Bonds
12
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
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References
Bioactivity
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