Molecule

ID:64526

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrN₂S
Molecular Mass
193.0649
Exact Mass
191.93568117
Charge
0
InChI
InChI=1S/C4H5BrN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
InChIKey
XZYIDZIGJVUTKE-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)Br)C
Isomeric Smiles
s1c(nc(c1Br)C)N
Calculated Properties
JChem
Acid pKa
16.437746
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5438896
LogD (pH = 7.4)
1.5533593
Log P
1.5534815
Molar Refractivity
36.8143
Polarizability
14.104608
Polar Surface Area
38.91
Rotatable Bonds
0
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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