Molecule
ID:68270
General Information
Molecular Formula
C₅H₂BrN₃S
Molecular Mass
216.05848
Exact Mass
214.91528008
Charge
0
InChI
InChI=1S/C5H2BrN3S/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H
InChIKey
AFCJQWPCRDUHNK-UHFFFAOYSA-N
Canonic Smiles
Brc1nsc2c1nccn2
Isomeric Smiles
c12c(nccn1)snc2Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3306841
LogD (pH = 7.4)
1.3306843
Log P
1.3306843
Molar Refractivity
41.9651
Polarizability
16.279158
Polar Surface Area
38.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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