Molecule

ID:59682

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)
InChIKey
UVPVRQIYZWPBEJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ccc2c1cc(F)cc2
Isomeric Smiles
n1(c2c(cc1)ccc(c2)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9329855
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.34245104
LogD (pH = 7.4)
-1.2798684
Log P
1.9163691
Molar Refractivity
48.3422
Polarizability
19.38817
Polar Surface Area
42.23
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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