Molecule

ID:40931

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrO₂S
Molecular Mass
283.14108
Exact Mass
281.93501246
Charge
0
InChI
InChI=1S/C11H7BrO2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(7-13)14-11/h1-7H
InChIKey
OPRPLUWSLMRQRM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Sc1ccc(cc1)Br
Isomeric Smiles
c1(oc(cc1)C=O)Sc1ccc(Br)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7927878
LogD (pH = 7.4)
3.7927878
Log P
3.7927878
Molar Refractivity
64.5931
Polarizability
24.559782
Polar Surface Area
30.21
Rotatable Bonds
3
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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