Molecule

ID:53266

General Information
Structure
MolImage
Molecular Formula
C₂H₂BrN₃S
Molecular Mass
180.02638
Exact Mass
178.91528008
Charge
0
InChI
InChI=1S/C2H2BrN3S/c3-1-5-2(4)7-6-1/h(H2,4,5,6)
InChIKey
OIAWLUSVPFSBCK-UHFFFAOYSA-N
Canonic Smiles
Brc1nsc(n1)N
Isomeric Smiles
c1(nc(ns1)Br)N
Calculated Properties
JChem
Acid pKa
13.95684
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2469708
LogD (pH = 7.4)
1.2469716
Log P
1.2469717
Molar Refractivity
33.3509
Polarizability
11.762969
Polar Surface Area
51.8
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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