Molecule

ID:29388

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-16(2)19-6-4-5-7-20(19)24-13-12-21-17-8-10-18(11-9-17)23-15-14-22-3/h4-11,16,21H,12-15H2,1-3H3
InChIKey
TWGKCMAUCMAIOF-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)NCCOc1ccccc1C(C)C
Isomeric Smiles
c1(c(OCCNc2ccc(cc2)OCCOC)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9637055
LogD (pH = 7.4)
4.1278815
Log P
4.130436
Molar Refractivity
98.5015
Polarizability
37.766975
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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