Molecule

ID:10061

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c16-9-4-5-10-11(12-3-1-2-6-15-12)8-14(17)18-13(10)7-9/h1-8,16H
InChIKey
WJXWVAVFUWNSBN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)cc2c1ccccn1
Isomeric Smiles
c1c(cc2c(c1)c(cc(=O)o2)c1ncccc1)O
Calculated Properties
JChem
Acid pKa
7.5937853
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0728881
LogD (pH = 7.4)
1.868025
Log P
2.0811708
Molar Refractivity
74.5533
Polarizability
24.991146
Polar Surface Area
59.42
Rotatable Bonds
1
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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