Molecule

ID:67062

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3
InChIKey
IFSCYCNNAIADLI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncc2c(c1)cccc2
Isomeric Smiles
c1nc(cc2ccccc12)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.290932
LogD (pH = 7.4)
2.2911823
Log P
2.2911854
Molar Refractivity
56.7532
Polarizability
23.223686
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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