Molecule

ID:96250

General Information
Structure
MolImage
Molecular Formula
C₄H₃FN₂OS
Molecular Mass
146.1428232
Exact Mass
145.99501195
Charge
0
InChI
InChI=1S/C4H3FN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9)
InChIKey
SOEINGHMICSQAA-UHFFFAOYSA-N
Canonic Smiles
Fc1c[nH]c(=O)[nH]c1=S
Isomeric Smiles
[nH]1c(=S)c(c[nH]c1=O)F
Calculated Properties
JChem
Acid pKa
7.3955135
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.2285944
LogD (pH = 7.4)
-0.06468853
Log P
0.2340215
Molar Refractivity
34.1631
Polarizability
12.7224655
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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