Molecule

ID:11032

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17)
InChIKey
WWEKTFINADFAEC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)c1ccco1
Isomeric Smiles
c1ccc2c(c1)c(cc(n2)c1ccco1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5548458
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9427766
LogD (pH = 7.4)
-0.47651044
Log P
2.8818057
Molar Refractivity
64.3906
Polarizability
27.116686
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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