Molecule

ID:64417

General Information
Structure
MolImage
Molecular Formula
C₅H₃Br₂NO₂S
Molecular Mass
300.95582
Exact Mass
298.82512334
Charge
0
InChI
InChI=1S/C5H3Br2NO2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3
InChIKey
JACHFCPPYOVTON-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(sc1Br)Br
Isomeric Smiles
c1(c(sc(n1)Br)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8201816
LogD (pH = 7.4)
2.8201816
Log P
2.8201816
Molar Refractivity
47.3272
Polarizability
19.082033
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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