Molecule

ID:99191

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNOS
Molecular Mass
235.2773032
Exact Mass
235.04671317
Charge
0
InChI
InChI=1S/C12H10FNOS/c1-7(15)12-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-6H,14H2,1H3
InChIKey
SQEIPHPPOCNRNK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(c(s1)C(=O)C)N
Isomeric Smiles
s1c(cc(c1C(=O)C)N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.530773
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0514822
LogD (pH = 7.4)
3.0514822
Log P
3.0514822
Molar Refractivity
63.1878
Polarizability
24.451931
Polar Surface Area
43.09
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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