Molecule

ID:8387

General Information
Structure
MolImage
Molecular Formula
C₆H₅FS
Molecular Mass
128.1673032
Exact Mass
128.00959938
Charge
0
InChI
InChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
WJTZZPVVTSDNJJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1S
Isomeric Smiles
c1ccc(c(c1)S)F
Calculated Properties
JChem
Acid pKa
5.323076
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.8345116
LogD (pH = 7.4)
0.866903
Log P
2.2091548
Molar Refractivity
34.2842
Polarizability
13.029465
Polar Surface Area
0.0
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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