Molecule

ID:53872

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrNS
Molecular Mass
268.1728
Exact Mass
266.97173233
Charge
0
InChI
InChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
JIYKQPNREFZLCN-UHFFFAOYSA-N
Canonic Smiles
BrCc1sc(nc1C)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1sc(c(n1)C)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6931586
LogD (pH = 7.4)
3.6933534
Log P
3.6933558
Molar Refractivity
73.594
Polarizability
24.611471
Polar Surface Area
12.89
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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