Molecule

ID:128753

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₄
Molecular Mass
341.40092
Exact Mass
341.16270822
Charge
0
InChI
InChI=1S/C20H23NO4/c1-2-5-18-15(4-1)6-7-17(25-18)13-21-10-3-11-22-16-8-9-19-20(12-16)24-14-23-19/h1-2,4-5,8-9,12,17,21H,3,6-7,10-11,13-14H2
InChIKey
FWJJRRVBVVQIBS-UHFFFAOYSA-N
Canonic Smiles
C(NCC1CCc2c(O1)cccc2)CCOc1ccc2c(c1)OCO2
Isomeric Smiles
c1cc2OCOc2cc1OCCCNCC1CCc2ccccc2O1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.14510818
LogD (pH = 7.4)
1.2149694
Log P
3.3226383
Molar Refractivity
94.0109
Polarizability
37.34962
Polar Surface Area
48.95
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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