Molecule

ID:64126

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)3-2-7-5(6)10-3/h2H,1H3
InChIKey
HNLVIKMXFBRZDF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(s1)Br
Isomeric Smiles
c1(sc(nc1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8320221
LogD (pH = 7.4)
1.8320221
Log P
1.8320221
Molar Refractivity
40.7006
Polarizability
15.8443575
Polar Surface Area
39.19
Rotatable Bonds
2
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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