Molecule

ID:97000

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FS
Molecular Mass
218.2898432
Exact Mass
218.05654957
Charge
0
InChI
InChI=1S/C13H11FS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
HAKNESVFKIESDD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CSc1ccccc1
Isomeric Smiles
S(c1ccccc1)Cc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.36486
LogD (pH = 7.4)
4.36486
Log P
4.36486
Molar Refractivity
63.6951
Polarizability
24.46126
Polar Surface Area
0.0
Rotatable Bonds
3
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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