Molecule

ID:66951

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNOS
Molecular Mass
194.04966
Exact Mass
192.91969675
Charge
0
InChI
InChI=1S/C4H4BrNOS/c5-4-3(1-7)8-2-6-4/h2,7H,1H2
InChIKey
RDCLVZNNBVGGFW-UHFFFAOYSA-N
Canonic Smiles
OCc1scnc1Br
Isomeric Smiles
C(O)c1scnc1Br
Calculated Properties
JChem
Acid pKa
13.591683
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9714008
LogD (pH = 7.4)
0.9714026
Log P
0.9714029
Molar Refractivity
36.3314
Polarizability
13.757419
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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