Molecule

ID:64610

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrClNS
Molecular Mass
228.53778
Exact Mass
226.91710991
Charge
0
InChI
InChI=1S/C5H6BrNS.ClH/c6-4-1-5(2-7)8-3-4;/h1,3H,2,7H2;1H
InChIKey
SBISERAPPQVAIN-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(cs1)Br.Cl
Isomeric Smiles
c1c(scc1Br)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.059242
LogD (pH = 7.4)
0.38869032
Log P
1.7806482
Molar Refractivity
39.0441
Polarizability
15.245621
Polar Surface Area
26.02
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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