Molecule

ID:28739

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₁NO₂
Molecular Mass
341.48704
Exact Mass
341.23547924
Charge
0
InChI
InChI=1S/C22H31NO2/c1-5-17(3)21-12-7-8-13-22(21)24-15-14-23-19-10-9-11-20(16-19)25-18(4)6-2/h7-13,16-18,23H,5-6,14-15H2,1-4H3
InChIKey
WEMFBHYPLAWRED-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)NCCOc1ccccc1C(CC)C)C
Isomeric Smiles
c1(c(OCCNc2cc(OC(CC)C)ccc2)cccc1)C(CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.9110117
LogD (pH = 7.4)
5.917798
Log P
5.9178853
Molar Refractivity
105.7504
Polarizability
40.787186
Polar Surface Area
30.49
Rotatable Bonds
10
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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