Molecule

ID:66777

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrNS
Molecular Mass
214.08236
Exact Mass
212.92478213
Charge
0
InChI
InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKey
YJOUISWKEOXIMC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)scn2
Isomeric Smiles
s1cnc2c1cc(cc2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8820817
LogD (pH = 7.4)
2.8822227
Log P
2.8822243
Molar Refractivity
44.7515
Polarizability
18.385138
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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