Molecule

ID:58829

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂N₂O₃S
Molecular Mass
372.03372
Exact Mass
369.86223713
Charge
0
InChI
InChI=1S/C8H8Br2N2O3S/c1-16(2,15)11-8-6(10)3-5(9)4-7(8)12(13)14/h3-4H,1-2H3
InChIKey
ZRAZOPCXEHHGAK-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)[N+](=O)[O-])N=S(=O)(C)C
Isomeric Smiles
c1(c(N=S(=O)(C)C)c(cc(c1)Br)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.504703
LogD (pH = 7.4)
2.5047033
Log P
2.5047033
Molar Refractivity
71.8489
Polarizability
26.815266
Polar Surface Area
75.25
Rotatable Bonds
2
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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