Molecule

ID:45133

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNOS
Molecular Mass
195.2134432
Exact Mass
195.01541304
Charge
0
InChI
InChI=1S/C9H6FNOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12)
InChIKey
HWVWDSSQJQIIPE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cc(s2)C(=O)N
Isomeric Smiles
c1(sc2c(c1)cc(cc2)F)C(=O)N
Calculated Properties
JChem
Acid pKa
14.004527
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9750522
LogD (pH = 7.4)
1.9750524
Log P
1.9750522
Molar Refractivity
48.477
Polarizability
19.023813
Polar Surface Area
43.09
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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