Molecule

ID:44362

General Information
Structure
MolImage
Molecular Formula
C₇H₇FS
Molecular Mass
142.1938832
Exact Mass
142.02524944
Charge
0
InChI
InChI=1S/C7H7FS/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey
ZEKNCCBACRDOAR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)S
Isomeric Smiles
c1(c(ccc(c1)F)S)C
Calculated Properties
JChem
Acid pKa
5.715032
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.525696
LogD (pH = 7.4)
1.4781119
Log P
2.7225764
Molar Refractivity
39.3254
Polarizability
14.783641
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
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References
Bioactivity
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