Molecule

ID:11051

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₅
Molecular Mass
267.27778
Exact Mass
267.11067265
Charge
0
InChI
InChI=1S/C13H17NO5/c1-3-19-13(17)14-11(8-12(15)16)9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKey
GCXKFPMOZUZWMS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(c1ccc(cc1)OC)CC(=O)O
Isomeric Smiles
C(C(NC(=O)OCC)c1ccc(cc1)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1305223
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.12640506
LogD (pH = 7.4)
-1.568453
Log P
1.5110518
Molar Refractivity
67.2648
Polarizability
26.379082
Polar Surface Area
84.86
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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