Molecule

ID:114424

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂S
Molecular Mass
194.2286832
Exact Mass
194.03139745
Charge
0
InChI
InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKey
CQYXXBUINDPILP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1c[nH]c(=S)[nH]1
Isomeric Smiles
[nH]1c(=S)[nH]cc1c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
9.804984
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.962581
LogD (pH = 7.4)
1.9610233
Log P
1.9626008
Molar Refractivity
54.235
Polarizability
20.309948
Polar Surface Area
24.06
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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