Molecule

ID:14014

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₆
Molecular Mass
297.30376
Exact Mass
297.12123733
Charge
0
InChI
InChI=1S/C14H19NO6/c1-4-21-14(18)15-10(8-13(16)17)9-5-6-11(19-2)12(7-9)20-3/h5-7,10H,4,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
BLJMNENXOOXVGK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(c1ccc(c(c1)OC)OC)CC(=O)O
Isomeric Smiles
c1(C(NC(=O)OCC)CC(=O)O)cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.9689376
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.18594576
LogD (pH = 7.4)
-1.8232343
Log P
1.3533806
Molar Refractivity
73.728
Polarizability
28.93162
Polar Surface Area
94.09
Rotatable Bonds
8
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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