Molecule

ID:64261

General Information
Structure
Molecular Formula
C₄H₃Br₂NOS
Molecular Mass
272.94572
Exact Mass
270.83020872
Charge
0
InChI
InChI=1S/C4H3Br2NOS/c5-3-2(1-8)7-4(6)9-3/h8H,1H2
InChIKey
LYBQIWVOTDMGEP-UHFFFAOYSA-N
Canonic Smiles
OCc1nc(sc1Br)Br
Isomeric Smiles
s1c(c(nc1Br)CO)Br
Calculated Properties
JChem
Acid pKa
13.600638
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9449763
LogD (pH = 7.4)
1.9449762
Log P
1.9449764
Molar Refractivity
41.9676
Polarizability
17.029636
Polar Surface Area
33.12
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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