Molecule

ID:44365

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNS
Molecular Mass
143.1819432
Exact Mass
143.02049842
Charge
0
InChI
InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey
MAOWDGRYXPTHRM-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(c(c1)F)N
Isomeric Smiles
c1(cc(S)ccc1N)F
Calculated Properties
JChem
Acid pKa
5.704003
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.1934775
LogD (pH = 7.4)
0.1374413
Log P
1.380229
Molar Refractivity
38.9846
Polarizability
14.176534
Polar Surface Area
26.02
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
No Data Available
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Molecule Details
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References
Bioactivity
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