Molecule

ID:68324

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)14-11-9/h3-6H,2H2,1H3
InChIKey
IRTACBSCHHOIPA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc2c1cccc2
Isomeric Smiles
o1nc(c2c1cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9028044
LogD (pH = 7.4)
1.9028044
Log P
1.9028044
Molar Refractivity
50.2296
Polarizability
20.113876
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
No Data Available
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Molecule Details
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References
Bioactivity
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