Molecule

ID:87028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKey
GHUPGGYDRVSZSW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)CCC2=O
Isomeric Smiles
N(c1cc2c(cc1)C(=O)CC2)C(=O)C
Calculated Properties
JChem
Acid pKa
13.760196
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0742663
LogD (pH = 7.4)
1.0742662
Log P
1.0742663
Molar Refractivity
54.5887
Polarizability
20.05363
Polar Surface Area
46.17
Rotatable Bonds
1
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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