Molecule

ID:7378

General Information
Structure
MolImage
Molecular Formula
C₉H₇FS
Molecular Mass
166.2152832
Exact Mass
166.02524944
Charge
0
InChI
InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKey
ARYSXQXKEJNADL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)cs2
Isomeric Smiles
c1(ccc2c(c1)c(cs2)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.505394
LogD (pH = 7.4)
3.505394
Log P
3.505394
Molar Refractivity
44.6557
Polarizability
17.893803
Polar Surface Area
0.0
Rotatable Bonds
0
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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