Molecule

ID:97300

General Information
Structure
MolImage
Molecular Formula
C₆H₅FS
Molecular Mass
128.1673032
Exact Mass
128.00959938
Charge
0
InChI
InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
OKIHXNKYYGUVTE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S
Isomeric Smiles
Sc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
5.458613
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.9044826
LogD (pH = 7.4)
0.89371246
Log P
2.2091548
Molar Refractivity
34.2842
Polarizability
13.021567
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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