Molecule

ID:41266

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₅
Molecular Mass
267.27778
Exact Mass
267.11067265
Charge
0
InChI
InChI=1S/C13H17NO5/c1-4-18-12(15)9-19-13-10(8-14-17-3)6-5-7-11(13)16-2/h5-8H,4,9H2,1-3H3/b14-8+
InChIKey
ANGQLRWHNQRAAU-RIYZIHGNSA-N
Canonic Smiles
CO/N=C/c1cccc(c1OCC(=O)OCC)OC
Isomeric Smiles
c1(OCC(=O)OCC)c(/C=N/OC)cccc1OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7377771
LogD (pH = 7.4)
1.7385219
Log P
1.7385315
Molar Refractivity
69.4747
Polarizability
26.800783
Polar Surface Area
66.35
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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