Molecule

ID:97129

General Information
Structure
MolImage
Molecular Formula
C₃BrF₃N₂S
Molecular Mass
233.0097096
Exact Mass
231.89176567
Charge
0
InChI
InChI=1S/C3BrF3N2S/c4-2-9-8-1(10-2)3(5,6)7
InChIKey
LGTVLLPQCMJOGT-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(s1)Br)(F)F
Isomeric Smiles
s1c(nnc1Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0677524
LogD (pH = 7.4)
2.0677524
Log P
2.0677524
Molar Refractivity
34.4649
Polarizability
12.435373
Polar Surface Area
25.78
Rotatable Bonds
1
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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