Molecule
ID:39865
General Information
Molecular Formula
C₁₆H₇F₅O₃S
Molecular Mass
374.281996
Exact Mass
374.00360618
Charge
0
InChI
InChI=1S/C16H7F5O3S/c17-11-12(18)14(20)16(15(21)13(11)19)24-25(22,23)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
BEPDCLWKAYMSSF-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)c2ccc3c(c2)cccc3)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8930583
LogD (pH = 7.4)
4.8930583
Log P
4.8930583
Molar Refractivity
78.4726
Polarizability
30.909409
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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