Molecule

ID:40452

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₅
Molecular Mass
327.33128
Exact Mass
327.11067265
Charge
0
InChI
InChI=1S/C18H17NO5/c1-2-22-18(21)16-9-13(24-19-16)11-23-17-8-7-12-5-3-4-6-14(12)15(17)10-20/h3-8,10,13H,2,9,11H2,1H3
InChIKey
FUZGFHLLZKAXNJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=NOC(C1)COc1ccc2c(c1C=O)cccc2
Isomeric Smiles
C1(=NOC(C1)COc1c(c2c(cc1)cccc2)C=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.258093
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.533487
LogD (pH = 7.4)
3.5334873
Log P
3.5334873
Molar Refractivity
87.2083
Polarizability
34.752907
Polar Surface Area
74.19
Rotatable Bonds
7
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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