Molecule

ID:113823

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂S
Molecular Mass
168.1914032
Exact Mass
168.01574739
Charge
0
InChI
InChI=1S/C7H5FN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey
CBVRCEFUXXJLSG-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)c(F)ccc2
Isomeric Smiles
n1c(sc2c1c(F)ccc2)N
Calculated Properties
JChem
Acid pKa
16.754074
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1096103
LogD (pH = 7.4)
2.111474
Log P
2.1114976
Molar Refractivity
41.5188
Polarizability
16.42444
Polar Surface Area
38.91
Rotatable Bonds
0
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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