Molecule

ID:37919

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
InChIKey
AXHZYGAOISWOLE-UHFFFAOYSA-N
Canonic Smiles
OCc1onc(c1)c1ccc(cc1)F
Isomeric Smiles
n1c(cc(o1)CO)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.31183
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6662198
LogD (pH = 7.4)
1.6662197
Log P
1.6662202
Molar Refractivity
49.174
Polarizability
19.383886
Polar Surface Area
46.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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