Molecule

ID:65351

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BF₄S
Molecular Mass
314.1492128
Exact Mass
314.09236476
Charge
0
InChI
InChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1
InChIKey
DWEYKSWKFYZEGZ-UHFFFAOYSA-N
Canonic Smiles
C1CC1[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
Isomeric Smiles
[S+](C1CC1)(c1ccccc1)c1ccccc1.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.874027
LogD (pH = 7.4)
2.874027
Log P
2.874027
Molar Refractivity
69.5631
Polarizability
28.111143
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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