Molecule

ID:60260

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-15-11(14)8-6-10(13)12-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3,(H,12,13)
InChIKey
XSQXXTZNJGFELQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(=O)Nc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)C(CC(=O)N2)C(=O)OC
Calculated Properties
JChem
Acid pKa
13.698378
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8852574
LogD (pH = 7.4)
0.8852572
Log P
0.8852574
Molar Refractivity
55.1949
Polarizability
20.789282
Polar Surface Area
55.4
Rotatable Bonds
2
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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