Molecule

ID:115008

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈FNO₃
Molecular Mass
233.1952232
Exact Mass
233.04882134
Charge
0
InChI
InChI=1S/C12H8FNO3/c13-9-4-2-1-3-7(9)10-6-5-8(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17)
InChIKey
GOPXHISNHAVBFZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1ccc(c(=O)[nH]1)C(=O)O
Isomeric Smiles
c1(c(=O)[nH]c(cc1)c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7048671
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7493952
LogD (pH = 7.4)
-2.2589667
Log P
1.0447115
Molar Refractivity
60.0191
Polarizability
21.70581
Polar Surface Area
66.4
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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