Molecule

ID:9310

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃S
Molecular Mass
192.2013896
Exact Mass
192.02205588
Charge
0
InChI
InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey
CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Canonic Smiles
SCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)CS)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.931042
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.335099
LogD (pH = 7.4)
3.333929
Log P
3.335114
Molar Refractivity
44.8762
Polarizability
16.315474
Polar Surface Area
0.0
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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