Molecule

ID:38685

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKey
LYMLSPRRJWJJQD-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O
Isomeric Smiles
CC(CC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.23513
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8446443
LogD (pH = 7.4)
0.120891914
Log P
3.1301405
Molar Refractivity
89.2014
Polarizability
35.835766
Polar Surface Area
75.63
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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