Molecule

ID:64943

General Information
Structure
MolImage
Molecular Formula
C₉H₉BrClNS
Molecular Mass
278.59646
Exact Mass
276.93275997
Charge
0
InChI
InChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H
InChIKey
FNRMMKSEZJLOTG-UHFFFAOYSA-N
Canonic Smiles
NCc1csc2c1cc(Br)cc2.Cl
Isomeric Smiles
c1(ccc2scc(c2c1)CN)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.22758213
LogD (pH = 7.4)
0.8246756
Log P
2.7437916
Molar Refractivity
55.4943
Polarizability
22.551907
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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