Molecule

ID:6882

General Information
Structure
Molecular Formula
C₇H₅FN₂S
Molecular Mass
168.1914032
Exact Mass
168.01574739
Charge
0
InChI
InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey
CJLUXPZQUXVJNF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)sc(n2)N
Isomeric Smiles
Fc1ccc2c(c1)sc(n2)N
Calculated Properties
JChem
Acid pKa
16.43595
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.067948
LogD (pH = 7.4)
2.1109192
Log P
2.1114976
Molar Refractivity
41.5188
Polarizability
16.418913
Polar Surface Area
38.91
Rotatable Bonds
0
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
References
Bioactivity
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