Molecule

ID:115246

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)12-14-10/h1-5,13H,6H2
InChIKey
UDUUQCWLDVLJSH-UHFFFAOYSA-N
Canonic Smiles
OCc1noc(c1)c1ccccc1F
Isomeric Smiles
c1(cc(no1)CO)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
13.700305
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3618417
LogD (pH = 7.4)
1.3618416
Log P
1.3618418
Molar Refractivity
49.0238
Polarizability
19.395191
Polar Surface Area
46.26
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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