Molecule

ID:23631

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c17-14(7-8-15(18)19)16-12-5-1-2-6-13(12)21-10-11-4-3-9-20-11/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)(H,18,19)
InChIKey
CXAXODVOTDDUDG-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1OCC1CCCO1)CCC(=O)O
Isomeric Smiles
N(C(=O)CCC(=O)O)c1c(OCC2OCCC2)cccc1
Calculated Properties
JChem
Acid pKa
3.9130611
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.29637188
LogD (pH = 7.4)
-1.910061
Log P
1.2967367
Molar Refractivity
76.5322
Polarizability
29.317335
Polar Surface Area
84.86
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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