Molecule

ID:88436

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-6-11-8-5-3-4-7(9(8)14-6)10(12)13-2/h3-5H,1-2H3
InChIKey
OIGKYABHRCSYSM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1oc(n2)C
Isomeric Smiles
o1c(nc2c1c(ccc2)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4464062
LogD (pH = 7.4)
1.4464071
Log P
1.4464071
Molar Refractivity
49.1891
Polarizability
20.019037
Polar Surface Area
52.33
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
No Data Available
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Molecule Details
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References
Bioactivity
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