Molecule

ID:100288

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrF₃NS
Molecular Mass
322.1441896
Exact Mass
320.94346689
Charge
0
InChI
InChI=1S/C11H7BrF3NS/c1-6-9(12)17-10(16-6)7-2-4-8(5-3-7)11(13,14)15/h2-5H,1H3
InChIKey
BZCIYGNYGIKEEC-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(sc1Br)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
s1c(c(nc1c1ccc(cc1)C(F)(F)F)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6007404
LogD (pH = 7.4)
4.6007757
Log P
4.600776
Molar Refractivity
73.7159
Polarizability
24.319439
Polar Surface Area
12.89
Rotatable Bonds
2
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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