Molecule

ID:105488

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₄
Molecular Mass
341.40092
Exact Mass
341.16270822
Charge
0
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(23)15-11-13-10-12-6-4-8-21-9-5-7-14(16(12)21)17(13)24-18(15)22/h10-11H,4-9H2,1-3H3
InChIKey
XSHJSSYQUYNTBG-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(cc1C(=O)OC(C)(C)C)cc1c3c2CCCN3CCC1
Isomeric Smiles
CC(C)(C)OC(=O)c1cc2c(oc1=O)c1c3N(CCCc3c2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.876271
LogD (pH = 7.4)
3.8806913
Log P
3.880748
Molar Refractivity
96.4474
Polarizability
36.25478
Polar Surface Area
55.84
Rotatable Bonds
3
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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