Molecule

ID:82898

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₅
Molecular Mass
290.27136
Exact Mass
290.09027156
Charge
0
InChI
InChI=1S/C14H14N2O5/c1-2-18-13(17)7-12-15-14(16-21-12)11-8-19-9-5-3-4-6-10(9)20-11/h3-6,11H,2,7-8H2,1H3
InChIKey
INYAIHSYQMHNPI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1onc(n1)C1COc2c(O1)cccc2
Isomeric Smiles
n1c(CC(=O)OCC)onc1C1Oc2c(cccc2)OC1
Calculated Properties
JChem
Acid pKa
18.120043
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.0750074
LogD (pH = 7.4)
2.0750074
Log P
2.0750074
Molar Refractivity
71.8026
Polarizability
27.58698
Polar Surface Area
83.68
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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