Molecule

ID:66910

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂NO₂S
Molecular Mass
286.92924
Exact Mass
284.80947328
Charge
0
InChI
InChI=1S/C4HBr2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)
InChIKey
VHMOYJYPQAAQJZ-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(c(s1)C(=O)O)Br
Isomeric Smiles
s1c(nc(c1C(=O)O)Br)Br
Calculated Properties
JChem
Acid pKa
3.072671
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.064490594
LogD (pH = 7.4)
-1.0049003
Log P
2.4604027
Molar Refractivity
44.3965
Polarizability
17.162325
Polar Surface Area
50.19
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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