Molecule

ID:100117

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrF₃NO₂S
Molecular Mass
358.1747496
Exact Mass
356.96459626
Charge
0
InChI
InChI=1S/C11H11BrF3NO2S/c12-9-5-8(11(13,14)15)6-10(7-9)19(17,18)16-3-1-2-4-16/h5-7H,1-4H2
InChIKey
CQJNMANCWRRNDY-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCCC1
Isomeric Smiles
N1(S(=O)(=O)c2cc(cc(c2)Br)C(F)(F)F)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0790272
LogD (pH = 7.4)
3.0790272
Log P
3.0790272
Molar Refractivity
69.1468
Polarizability
26.586643
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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