Molecule

ID:66909

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂NOS
Molecular Mass
270.92984
Exact Mass
268.81455866
Charge
0
InChI
InChI=1S/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKey
FDBMZERYWBZSQS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Br)Br
Isomeric Smiles
s1c(nc(c1C=O)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5153222
LogD (pH = 7.4)
2.5153222
Log P
2.5153222
Molar Refractivity
43.7243
Polarizability
16.543312
Polar Surface Area
29.96
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
No Data Available
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Molecule Details
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References
Bioactivity
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