Molecule

ID:65299

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆BF₃O₂S
Molecular Mass
304.1361496
Exact Mass
304.09161581
Charge
0
InChI
InChI=1S/C13H16BF3O2S/c1-11(2)12(3,4)19-14(18-11)9-6-5-7-10(8-9)20-13(15,16)17/h5-8H,1-4H3
InChIKey
KUSAKFDXTLNMCN-UHFFFAOYSA-N
Canonic Smiles
FC(Sc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Isomeric Smiles
c1(cccc(c1)B1OC(C(O1)(C)C)(C)C)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9785
LogD (pH = 7.4)
5.9785
Log P
5.9785
Molar Refractivity
68.6986
Polarizability
28.123907
Polar Surface Area
18.46
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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