Molecule

ID:29674

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₄
Molecular Mass
371.46996
Exact Mass
371.20965841
Charge
0
InChI
InChI=1S/C22H29NO4/c1-2-24-13-14-26-22-11-4-3-7-18(22)16-23-19-8-5-9-20(15-19)27-17-21-10-6-12-25-21/h3-5,7-9,11,15,21,23H,2,6,10,12-14,16-17H2,1H3
InChIKey
HEOLLRRODJEBMU-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1CNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
c1(CNc2cc(OCC3OCCC3)ccc2)c(OCCOCC)cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.5803435
LogD (pH = 7.4)
3.5835352
Log P
3.583576
Molar Refractivity
107.8376
Polarizability
41.482086
Polar Surface Area
48.95
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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