Molecule

ID:61280

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InChIKey
PECLZIRCLUPWGS-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1cc(C)cc(c1)C
Isomeric Smiles
N1(c2cc(cc(c2)C)C)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2725735
LogD (pH = 7.4)
2.2725744
Log P
2.2725744
Molar Refractivity
58.1081
Polarizability
21.515123
Polar Surface Area
37.38
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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