Molecule

ID:44364

General Information
Structure
MolImage
Molecular Formula
C₇H₇FS
Molecular Mass
142.1938832
Exact Mass
142.02524944
Charge
0
InChI
InChI=1S/C7H7FS/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey
NLIOVTBTQHQXHO-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(c(c1)F)C
Isomeric Smiles
c1(cc(S)ccc1C)F
Calculated Properties
JChem
Acid pKa
5.689933
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5165966
LogD (pH = 7.4)
1.4698526
Log P
2.7225764
Molar Refractivity
39.3254
Polarizability
14.785575
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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