Molecule

ID:12537

General Information
Structure
MolImage
Molecular Formula
C₄H₈Br₂N₂S
Molecular Mass
275.99272
Exact Mass
273.87749327
Charge
0
InChI
InChI=1S/C4H7BrN2S.BrH/c5-1-3-2-7-4(6)8-3;/h3H,1-2H2,(H2,6,7);1H
InChIKey
XUQZLXHWMASZJH-UHFFFAOYSA-N
Canonic Smiles
NC1=NCC(S1)CBr.Br
Isomeric Smiles
N1=C(SC(C1)CBr)N.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.416075
LogD (pH = 7.4)
-0.7063901
Log P
0.9755034
Molar Refractivity
39.7197
Polarizability
15.176126
Polar Surface Area
38.38
Rotatable Bonds
1
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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