Molecule

ID:61267

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKey
LJDGDRYFCIHDPX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1C(=O)C=CC1=O
Isomeric Smiles
N1(C(=O)C=CC1=O)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0880597
LogD (pH = 7.4)
1.0880603
Log P
1.0880604
Molar Refractivity
54.4889
Polarizability
20.526133
Polar Surface Area
46.61
Rotatable Bonds
2
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
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References
Bioactivity
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