Molecule

ID:77628

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrClNS
Molecular Mass
242.56436
Exact Mass
240.93275997
Charge
0
InChI
InChI=1S/C6H8BrNS.ClH/c1-8-2-5-3-9-4-6(5)7;/h3-4,8H,2H2,1H3;1H
InChIKey
GORGMQYTNXIOBQ-UHFFFAOYSA-N
Canonic Smiles
CNCc1cscc1Br.Cl
Isomeric Smiles
s1cc(c(c1)CNC)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7337337
LogD (pH = 7.4)
0.93501
Log P
2.0807893
Molar Refractivity
44.0346
Polarizability
17.04649
Polar Surface Area
12.03
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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