Molecule

ID:54236

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrN₂S
Molecular Mass
195.08078
Exact Mass
193.95133123
Charge
0
InChI
InChI=1S/C4H6N2S.BrH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChIKey
KBXGAMBTNVXBKV-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(c1)N.Br
Isomeric Smiles
c1c(C)nsc1N.Br
Calculated Properties
JChem
Acid pKa
19.502537
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33199728
LogD (pH = 7.4)
0.4102055
Log P
0.41129947
Molar Refractivity
30.4508
Polarizability
11.034029
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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