Molecule

ID:29524

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-4-22-13-14-23-19-11-9-18(10-12-19)21-15-17-7-5-6-8-20(17)24-16(2)3/h5-12,16,21H,4,13-15H2,1-3H3
InChIKey
JHHONKPPZLLVQV-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)NCc1ccccc1OC(C)C
Isomeric Smiles
c1(c(CNc2ccc(cc2)OCCOCC)cccc1)OC(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.852341
LogD (pH = 7.4)
3.9371731
Log P
3.93837
Molar Refractivity
98.7503
Polarizability
37.84105
Polar Surface Area
39.72
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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