名称: 2-amino-3-(4-ethoxy-2,4-dioxobutyl)-5-methylthiazol-3-ium bromide
SMILES:
CCOC(=O)CC(=O)C[n+]1cc(C)sc1N.[Br-]Molecular Processing
Molecular formula
C10H15BrN2O3S
Molecular weight
323.21
Exact mass
321.9987
XLogP
-2.55
TPSA
73.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
59.92
Supplementary Information
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