Molecule

ID:65876

General Information
Structure
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h3-6H,2H2,1H3
InChIKey
YIEKKNVBDRSMCX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(o1)cncc2
Isomeric Smiles
c1ncc2c(c1)cc(o2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1897037
LogD (pH = 7.4)
1.1949159
Log P
1.1949829
Molar Refractivity
49.3936
Polarizability
20.087875
Polar Surface Area
52.33
Rotatable Bonds
3
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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