Molecule

ID:67956

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrClS
Molecular Mass
261.56594
Exact Mass
259.90621087
Charge
0
InChI
InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChIKey
FKQSFVITUNJLCY-UHFFFAOYSA-N
Canonic Smiles
BrCc1csc2c1cc(Cl)cc2
Isomeric Smiles
c12c(c(cs1)CBr)cc(cc2)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2260528
LogD (pH = 7.4)
4.2260528
Log P
4.2260528
Molar Refractivity
57.0533
Polarizability
22.86783
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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