Molecule

ID:28760

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₄
Molecular Mass
345.43268
Exact Mass
345.19400835
Charge
0
InChI
InChI=1S/C20H27NO4/c1-3-23-12-14-25-20-10-5-4-7-17(20)16-21-18-8-6-9-19(15-18)24-13-11-22-2/h4-10,15,21H,3,11-14,16H2,1-2H3
InChIKey
WZNFRMUPNRRKLJ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1CNc1cccc(c1)OCCOC
Isomeric Smiles
c1(CNc2cc(OCCOC)ccc2)c(OCCOCC)cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.1147757
LogD (pH = 7.4)
3.1179705
Log P
3.1180115
Molar Refractivity
100.6264
Polarizability
38.527294
Polar Surface Area
48.95
Rotatable Bonds
12
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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