Molecule

ID:43727

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO₂S
Molecular Mass
271.13038
Exact Mass
269.93501246
Charge
0
InChI
InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChIKey
AOQIBJZMRMVKSH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1)c(Br)ccc2
Isomeric Smiles
c1(cc2c(s1)cccc2Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7539396
LogD (pH = 7.4)
3.7539396
Log P
3.7539396
Molar Refractivity
58.8303
Polarizability
23.737843
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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