Molecule

ID:41509

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂BrF₅O₃S₂
Molecular Mass
409.147096
Exact Mass
407.85488902
Charge
0
InChI
InChI=1S/C10H2BrF5O3S2/c11-3-1-2-4(20-3)21(17,18)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-2H
InChIKey
ARONUGGUBQPRMS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
S(=O)(=O)(c1sc(cc1)Br)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.784768
LogD (pH = 7.4)
4.784768
Log P
4.784768
Molar Refractivity
65.0708
Polarizability
26.005905
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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