Molecule

ID:53326

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₄
Molecular Mass
222.1974
Exact Mass
222.06405681
Charge
0
InChI
InChI=1S/C10H10N2O4/c1-15-6-5-12-8-7(3-2-4-11-8)9(13)16-10(12)14/h2-4H,5-6H2,1H3
InChIKey
WZTUATXXESWDBL-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(=O)oc(=O)c2c1nccc2
Isomeric Smiles
c1cnc2c(c1)c(=O)oc(=O)n2CCOC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.6699795
LogD (pH = 7.4)
0.6699838
Log P
0.66998386
Molar Refractivity
54.1423
Polarizability
20.658674
Polar Surface Area
68.73
Rotatable Bonds
3
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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