Molecule

ID:14430

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-2-3-4-11(15(18)19)16-14(17)10-5-6-12-13(9-10)21-8-7-20-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKey
AORPGIXDYDUHBH-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)O)NC(=O)c1ccc2c(c1)OCCO2
Isomeric Smiles
c12c(ccc(c1)C(=O)NC(CCCC)C(=O)O)OCCO2
Calculated Properties
JChem
Acid pKa
3.307384
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.1567769
LogD (pH = 7.4)
-1.405432
Log P
2.0191019
Molar Refractivity
75.295
Polarizability
29.104498
Polar Surface Area
84.86
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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