Molecule

ID:52800

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-6,13H,7H2,1H3
InChIKey
RZVICXIGFUNOSW-UHFFFAOYSA-N
Canonic Smiles
OCc1cc2ccccc2n(c1=O)C
Isomeric Smiles
c1ccc2c(c1)n(c(=O)c(c2)CO)C
Calculated Properties
JChem
Acid pKa
14.903544
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5759877
LogD (pH = 7.4)
0.57598776
Log P
0.57598776
Molar Refractivity
54.5269
Polarizability
20.449903
Polar Surface Area
40.54
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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