Molecule

ID:121704

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3
InChIKey
AWJCCKYFFMSHCJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2ccccc2n(c1=O)C
Isomeric Smiles
c1(c(=O)n(c2c(c1)cccc2)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.88983524
LogD (pH = 7.4)
0.88983524
Log P
0.88983524
Molar Refractivity
53.544
Polarizability
19.903374
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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