Molecule

ID:96959

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrF₃NO₃S
Molecular Mass
376.1900296
Exact Mass
374.97516094
Charge
0
InChI
InChI=1S/C11H13BrF3NO3S/c1-3-16(4-2)20(17,18)10-6-5-8(7-9(10)12)19-11(13,14)15/h5-7H,3-4H2,1-2H3
InChIKey
TZYAQTDLDGIJMK-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccc(cc1Br)OC(F)(F)F)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1Br)OC(F)(F)F)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9401088
LogD (pH = 7.4)
3.9401088
Log P
3.9401088
Molar Refractivity
68.1996
Polarizability
28.065248
Polar Surface Area
46.61
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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