Molecule

ID:101194

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrClS
Molecular Mass
261.56594
Exact Mass
259.90621087
Charge
0
InChI
InChI=1S/C9H6BrClS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4H2
InChIKey
ZIOALKCKGFEWMX-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc2c1cc(Br)cc2
Isomeric Smiles
c1(c2c(sc1)ccc(c2)Br)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2052655
LogD (pH = 7.4)
4.2052655
Log P
4.2052655
Molar Refractivity
56.8878
Polarizability
22.914871
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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