Molecule

ID:83146

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrClN₂S
Molecular Mass
263.54206
Exact Mass
261.89670882
Charge
0
InChI
InChI=1S/C7H4BrClN2S/c8-3-4-1-6-7(2-5(4)9)11-12-10-6/h1-2H,3H2
InChIKey
SRDXMTAJHJMAHM-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc2nsnc2cc1Cl
Isomeric Smiles
s1nc2c(n1)cc(c(c2)Cl)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4936569
LogD (pH = 7.4)
3.4936569
Log P
3.4936569
Molar Refractivity
54.1956
Polarizability
21.322065
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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