Molecule
ID:61755
General Information
Molecular Formula
C₇H₇FS
Molecular Mass
142.1938832
Exact Mass
142.02524944
Charge
0
InChI
InChI=1S/C7H7FS/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey
WIYZIRGRLJSWNS-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(c(c1)C)F
Isomeric Smiles
c1(c(ccc(c1)S)F)C
Calculated Properties
JChem
Acid pKa
5.7166348
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5262666
LogD (pH = 7.4)
1.4786494
Log P
2.7225764
Molar Refractivity
39.3254
Polarizability
14.784772
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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