Molecule

ID:16615

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c16-14(17)10-6-7-12-11(8-10)13(18-15-12)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKey
GEBDBXYYQHUKAU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c(on2)c1ccccc1
Isomeric Smiles
c12c(c3ccccc3)onc1ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9265118
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3577486
LogD (pH = 7.4)
-0.26177946
Log P
2.9379277
Molar Refractivity
65.8481
Polarizability
27.132196
Polar Surface Area
63.33
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
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Molecule Details
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References
Bioactivity
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