Molecule

ID:44660

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-11-9-6-10(9)12(15)13(11)7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
JEISWFNRNZRSHM-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CC2C(=O)N1Cc1ccccc1
Isomeric Smiles
N1(C(=O)C2C(C1=O)C2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1323556
LogD (pH = 7.4)
1.1323556
Log P
1.1323556
Molar Refractivity
54.5365
Polarizability
21.201597
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
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Molecule Details
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References
Bioactivity
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