Molecule

ID:28725

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-4-22-12-13-23-19-10-8-17(9-11-19)15-21-18-6-5-7-20(14-18)24-16(2)3/h5-11,14,16,21H,4,12-13,15H2,1-3H3
InChIKey
AOVIDBXEQAVTGU-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)CNc1cccc(c1)OC(C)C
Isomeric Smiles
c1c(OC(C)C)cccc1NCc1ccc(cc1)OCCOCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.934375
LogD (pH = 7.4)
3.9383194
Log P
3.93837
Molar Refractivity
98.7503
Polarizability
37.841995
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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