Molecule

ID:23629

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c17-14(6-7-15(18)19)16-11-3-1-4-12(9-11)21-10-13-5-2-8-20-13/h1,3-4,9,13H,2,5-8,10H2,(H,16,17)(H,18,19)
InChIKey
WBZMRAHGLRKFCE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)OCC1CCCO1)CCC(=O)O
Isomeric Smiles
C(=O)(Nc1cc(OCC2OCCC2)ccc1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.7940087
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.41124567
LogD (pH = 7.4)
-1.9683871
Log P
1.2967367
Molar Refractivity
76.5322
Polarizability
29.316105
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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