Molecule
ID:57931
General Information
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5H,6H2,1H3
InChIKey
STMRGLKPBJVVEG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CC(=O)C
Calculated Properties
JChem
Acid pKa
18.950762
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.72470796
LogD (pH = 7.4)
0.72470796
Log P
0.72470796
Molar Refractivity
53.8472
Polarizability
19.774714
Polar Surface Area
54.45
Rotatable Bonds
2
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
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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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