Molecule

ID:61610

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrS₂
Molecular Mass
275.22834
Exact Mass
273.94855435
Charge
0
InChI
InChI=1S/C10H11BrS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10H,3,6-7H2
InChIKey
DZEDCNZMBVQNRP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1C1SCCCS1
Isomeric Smiles
S1C(SCCC1)c1c(cccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.180022
LogD (pH = 7.4)
4.180022
Log P
4.180022
Molar Refractivity
66.1216
Polarizability
25.807281
Polar Surface Area
0.0
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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