Molecule

ID:88928

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO₂S
Molecular Mass
235.09828
Exact Mass
233.93501246
Charge
0
InChI
InChI=1S/C7H7BrO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,1-2H3
InChIKey
MJFMUPYFABQHRA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1Br)C
Isomeric Smiles
s1c(c(cc1C)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3042176
LogD (pH = 7.4)
3.3042176
Log P
3.3042176
Molar Refractivity
47.6523
Polarizability
18.225914
Polar Surface Area
26.3
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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