Molecule

ID:97200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FOS
Molecular Mass
206.2360832
Exact Mass
206.02016406
Charge
0
InChI
InChI=1S/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H
InChIKey
NLTRJPXIYKYMKT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1cccs1
Isomeric Smiles
s1cccc1C(=O)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.488182
LogD (pH = 7.4)
3.488182
Log P
3.488182
Molar Refractivity
53.7398
Polarizability
20.317833
Polar Surface Area
17.07
Rotatable Bonds
2
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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