Molecule

ID:29522

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₃
Molecular Mass
329.43328
Exact Mass
329.19909373
Charge
0
InChI
InChI=1S/C20H27NO3/c1-3-13-24-20-8-6-5-7-17(20)16-21-18-9-11-19(12-10-18)23-15-14-22-4-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKey
CMRZHWRXUDBSPM-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)NCc1ccccc1OCCC
Isomeric Smiles
c1(CNc2ccc(cc2)OCCOCC)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9582868
LogD (pH = 7.4)
4.0431204
Log P
4.0443172
Molar Refractivity
98.8555
Polarizability
37.8412
Polar Surface Area
39.72
Rotatable Bonds
11
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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