Molecule

ID:114145

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c16-14(17)12-8-13(18-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17)
InChIKey
AUIITIJVBCOPRF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1noc(c1)c1cccc2c1cccc2
Isomeric Smiles
c1(noc(c1)c1c2c(ccc1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9055176
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3375497
LogD (pH = 7.4)
-0.27280447
Log P
2.9379277
Molar Refractivity
65.8481
Polarizability
27.128443
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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