Molecule

ID:24676

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
XNWVWEWWPNKNJX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)c([nH]2)C(=O)O
Isomeric Smiles
c1([nH]c2c(c1C)cc(cc2)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4506667
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.26666602
LogD (pH = 7.4)
-1.0838255
Log P
2.305715
Molar Refractivity
49.5358
Polarizability
19.299562
Polar Surface Area
53.09
Rotatable Bonds
1
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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