Molecule

ID:91533

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-9-2-4-10(5-3-9)8-13-11(14)6-7-12(13)15/h2-7H,8H2,1H3
InChIKey
PKRXXDLNTFLPRG-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1Cc1ccc(cc1)C
Isomeric Smiles
N1(C(=O)C=CC1=O)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8256676
LogD (pH = 7.4)
1.8256676
Log P
1.8256676
Molar Refractivity
57.9019
Polarizability
21.606766
Polar Surface Area
37.38
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
No Data Available
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Molecule Details
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References
Bioactivity
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