Molecule
ID:122966
General Information
Molecular Formula
C₁₃H₁₄N₂O₅
Molecular Mass
278.26066
Exact Mass
278.09027156
Charge
0
InChI
InChI=1S/C13H14N2O5/c1-4-19-13(16)12-14-11(15-20-12)8-5-6-9(17-2)10(7-8)18-3/h5-7H,4H2,1-3H3
InChIKey
UAOQPEANZVBDPV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccc(c(c1)OC)OC
Isomeric Smiles
n1c(onc1c1cc(c(cc1)OC)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.1564496
LogD (pH = 7.4)
2.1564496
Log P
2.1564496
Molar Refractivity
81.2627
Polarizability
27.11222
Polar Surface Area
83.68
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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