Molecule

ID:53343

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-3-6-13-9-8(5-4-7(2)12-9)10(14)16-11(13)15/h3-5H,1,6H2,2H3
InChIKey
KBMPSNMXDPIITC-UHFFFAOYSA-N
Canonic Smiles
C=CCn1c(=O)oc(=O)c2c1nc(C)cc2
Isomeric Smiles
c1c(nc2c(c1)c(=O)oc(=O)n2CC=C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5795525
LogD (pH = 7.4)
1.579579
Log P
1.5795794
Molar Refractivity
56.853
Polarizability
21.417896
Polar Surface Area
59.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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