Molecule

ID:80693

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₃
Molecular Mass
215.20476
Exact Mass
215.05824315
Charge
0
InChI
InChI=1S/C12H9NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKey
GFEUNYLQJDQNAN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(ccc(c1)C(=O)O)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
3.7589116
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7658967
LogD (pH = 7.4)
-0.7729216
Log P
2.507901
Molar Refractivity
57.7116
Polarizability
22.095688
Polar Surface Area
59.42
Rotatable Bonds
3
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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