Molecule

ID:94368

General Information
Structure
MolImage
Molecular Formula
C₇H₇BF₃KS
Molecular Mass
230.0999896
Exact Mass
229.99506796
Charge
0
InChI
InChI=1S/C7H7BF3S.K/c1-12-7-5-3-2-4-6(7)8(9,10)11;/h2-5H,1H3;/q-1;+1
InChIKey
ACOYJOWMHXJLJP-UHFFFAOYSA-N
Canonic Smiles
CSc1ccccc1[B-](F)(F)F.[K+]
Isomeric Smiles
[B-](c1c(cccc1)SC)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.785
LogD (pH = 7.4)
2.785
Log P
2.785
Molar Refractivity
42.7371
Polarizability
16.729023
Polar Surface Area
0.0
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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