Molecule

ID:90396

General Information
Structure
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,14)
InChIKey
LFWXXWQECWWZHS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)COc1ccc2c(c1)cccc2
Isomeric Smiles
O(c1ccc2c(c1)cccc2)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.815273
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.476092
LogD (pH = 7.4)
1.476092
Log P
1.476092
Molar Refractivity
56.8782
Polarizability
23.416622
Polar Surface Area
52.32
Rotatable Bonds
3
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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