Molecule

ID:58773

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₃
Molecular Mass
215.20476
Exact Mass
215.05824315
Charge
0
InChI
InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-11(13-10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKey
OHIOMWFFIKFFDX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(n1)Oc1ccccc1
Isomeric Smiles
n1c(C(=O)O)cccc1Oc1ccccc1
Calculated Properties
JChem
Acid pKa
3.5813696
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.95937854
LogD (pH = 7.4)
-0.4629033
Log P
2.8937514
Molar Refractivity
57.3396
Polarizability
22.102003
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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