Molecule

ID:74539

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,1H3
InChIKey
NQPIEWBAWBFGOB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2c1cccc2)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.259661
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9954852
LogD (pH = 7.4)
1.9954332
Log P
1.9954859
Molar Refractivity
49.0473
Polarizability
19.968985
Polar Surface Area
42.09
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
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Molecule Details
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References
Bioactivity
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