Molecule

ID:77277

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-16-10(14)8-7-5-3-4-6-13(7)12-9(8)11(15)17-2/h3-6H,1-2H3
InChIKey
NZJIUQJPKXRRHB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn2c(c1C(=O)OC)cccc2
Isomeric Smiles
n1c(c(c2n1cccc2)C(=O)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6959872
LogD (pH = 7.4)
1.6959872
Log P
1.6959872
Molar Refractivity
69.6565
Polarizability
22.87148
Polar Surface Area
69.9
Rotatable Bonds
4
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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