Molecule

ID:94129

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈FNO₃
Molecular Mass
233.1952232
Exact Mass
233.04882134
Charge
0
InChI
InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKey
SDZUYDOXBXHDCE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ncccc1C(=O)O
Isomeric Smiles
n1c(c(ccc1)C(=O)O)Oc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
4.4189277
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5363991
LogD (pH = 7.4)
-0.22278178
Log P
2.650603
Molar Refractivity
57.928
Polarizability
21.82964
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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