Molecule

ID:8377

General Information
Structure
MolImage
Molecular Formula
C₇H₇FS
Molecular Mass
142.1938832
Exact Mass
142.02524944
Charge
0
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
XFUMHENRNCUHOH-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)F
Isomeric Smiles
c1cc(ccc1F)SC
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
14.860946
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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