Molecule

ID:80215

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BrN₃O₂S₂
Molecular Mass
288.1858
Exact Mass
286.93978058
Charge
0
InChI
InChI=1S/C5H9N3O2S2.BrH/c6-5-8(7)3-1-12(9,10)2-4(3)11-5;/h3-4,6H,1-2,7H2;1H
InChIKey
HFPFSWOODCYWJN-UHFFFAOYSA-N
Canonic Smiles
NN1C(=N)SC2C1CS(=O)(=O)C2.Br
Isomeric Smiles
S1(=O)(=O)CC2N(N)C(=N)SC2C1.Br
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.5399535
LogD (pH = 7.4)
-2.0196533
Log P
-1.5080001
Molar Refractivity
57.4418
Polarizability
19.155125
Polar Surface Area
87.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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