Molecule

ID:39203

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₅
Molecular Mass
341.35786
Exact Mass
341.12632271
Charge
0
InChI
InChI=1S/C19H19NO5/c21-12(9-18(22)23)10-20-19(24)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,21H,9-11H2,(H,20,24)(H,22,23)
InChIKey
KAVHFNYDXGWPBX-UHFFFAOYSA-N
Canonic Smiles
OC(CC(=O)O)CNC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(C(CNC(=O)OCC1c2c(c3c1cccc3)cccc2)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8892703
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.46719185
LogD (pH = 7.4)
-1.1358709
Log P
2.0832307
Molar Refractivity
90.7451
Polarizability
36.458607
Polar Surface Area
95.86
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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