Molecule

ID:28822

General Information
Structure
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-3-4-5-6-7-16-25-22-14-10-20(11-15-22)18-23-17-19-8-12-21(24-2)13-9-19/h8-15,23H,3-7,16-18H2,1-2H3
InChIKey
MHVSJTWBFBKHEG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNCc1ccc(cc1)OC
Isomeric Smiles
N(Cc1ccc(cc1)OC)Cc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5706606
LogD (pH = 7.4)
4.05767
Log P
5.59833
Molar Refractivity
104.5216
Polarizability
41.25824
Polar Surface Area
30.49
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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