Molecule

ID:69322

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrNS
Molecular Mass
190.06096
Exact Mass
188.92478213
Charge
0
InChI
InChI=1S/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
JPWXLRZTRDTFMR-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(cn1)Br
Isomeric Smiles
c1c(ccc(n1)S)Br
Calculated Properties
JChem
Acid pKa
6.8342667
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1930025
LogD (pH = 7.4)
1.597927
Log P
2.2119908
Molar Refractivity
39.8472
Polarizability
15.331588
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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