Molecule

ID:64271

General Information
Structure
MolImage
Molecular Formula
C₄H₃FN₂O₂S
Molecular Mass
162.1422232
Exact Mass
161.98992657
Charge
0
InChI
InChI=1S/C4H3FN2O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H
InChIKey
HMZIGHBQOOGZAK-UHFFFAOYSA-N
Canonic Smiles
FS(=O)(=O)c1ncccn1
Isomeric Smiles
S(=O)(=O)(c1ncccn1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.38723525
LogD (pH = 7.4)
0.38723525
Log P
0.38723525
Molar Refractivity
32.2275
Polarizability
12.696477
Polar Surface Area
59.92
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
No Data Available
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Molecule Details
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References
Bioactivity
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