Molecule

ID:40724

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₇NO₅
Molecular Mass
363.36338
Exact Mass
363.11067265
Charge
0
InChI
InChI=1S/C21H17NO5/c1-2-26-20(24)16-13-17(22-19(23)15-11-7-4-8-12-15)21(25)27-18(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,23)
InChIKey
JWSNPYGLRSSRSX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1c1ccccc1
Isomeric Smiles
c1(c(oc(=O)c(c1)NC(=O)c1ccccc1)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.130361
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0040321
LogD (pH = 7.4)
3.0040314
Log P
3.0040321
Molar Refractivity
101.0347
Polarizability
37.87779
Polar Surface Area
81.7
Rotatable Bonds
6
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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