Molecule

ID:38690

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₄
Molecular Mass
325.35846
Exact Mass
325.13140809
Charge
0
InChI
InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKey
ACUIFAAXWDLLTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CCC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.057878
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5482277
LogD (pH = 7.4)
-0.12271066
Log P
3.0022268
Molar Refractivity
89.5376
Polarizability
35.835766
Polar Surface Area
75.63
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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