Molecule

ID:64236

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNOS
Molecular Mass
194.04966
Exact Mass
192.91969675
Charge
0
InChI
InChI=1S/C4H4BrNOS/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKey
BGUMXMYDARUQAH-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(s1)Br
Isomeric Smiles
s1c(ncc1Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0933657
LogD (pH = 7.4)
2.093366
Log P
2.093366
Molar Refractivity
33.9856
Polarizability
13.802527
Polar Surface Area
22.12
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
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Molecule Details
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References
Bioactivity
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