Molecule

ID:64353

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrS
Molecular Mass
243.16334
Exact Mass
241.97648335
Charge
0
InChI
InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
BIDNDPBMKWOGQG-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)SCC1CC1
Isomeric Smiles
C1(CC1)CSc1cc(Br)ccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0470147
LogD (pH = 7.4)
4.0470147
Log P
4.0470147
Molar Refractivity
58.4309
Polarizability
22.717215
Polar Surface Area
0.0
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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