Molecule

ID:64125

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrNO₂S
Molecular Mass
222.05976
Exact Mass
220.91461137
Charge
0
InChI
InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChIKey
YOWKNNKTQWCYNC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1csc(n1)Br
Isomeric Smiles
c1(nc(sc1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.885433
LogD (pH = 7.4)
1.885433
Log P
1.885433
Molar Refractivity
40.5445
Polarizability
15.840793
Polar Surface Area
39.19
Rotatable Bonds
2
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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