Molecule

ID:13715

General Information
Structure
MolImage
Molecular Formula
C₇H₇FS
Molecular Mass
142.1938832
Exact Mass
142.02524944
Charge
0
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
SQXSNYMCORGWCE-UHFFFAOYSA-N
Canonic Smiles
CSc1cccc(c1)F
Isomeric Smiles
CSc1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.744165
LogD (pH = 7.4)
2.744165
Log P
2.744165
Molar Refractivity
39.0333
Polarizability
14.862914
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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