Molecule

ID:54140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-2-15-11(14)10-12-9(13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
GIGKBTJPLNTFON-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccccc1
Isomeric Smiles
o1nc(nc1C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.948618
LogD (pH = 7.4)
2.948618
Log P
2.5486178
Molar Refractivity
68.3363
Polarizability
22.02034
Polar Surface Area
65.22
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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