Molecule

ID:85247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2
InChIKey
DUILGEYLVHGSEE-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CC2OC2)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)CC1OC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.75836575
LogD (pH = 7.4)
0.75836575
Log P
0.75836575
Molar Refractivity
52.9562
Polarizability
19.67128
Polar Surface Area
49.91
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
References
Bioactivity
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