Molecule
ID:121088
General Information
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-16-10(15)6-13-5-8(7-14)9-3-2-4-12-11(9)13/h2-5,7H,6H2,1H3
InChIKey
BZFMQVUHSWPYKV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cc(c2c1nccc2)C=O
Isomeric Smiles
n1(c2c(c(c1)C=O)cccn2)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.77748924
LogD (pH = 7.4)
0.78179795
Log P
0.7818532
Molar Refractivity
57.2746
Polarizability
22.1829
Polar Surface Area
61.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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