الاسم: 2-(cyanomethyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
SMILES:
CC[n+]1c(CC#N)sc2ccccc21.[I-]Molecular Processing
Molecular formula
C11H11IN2S
Molecular weight
330.19
Exact mass
329.9688
XLogP
-0.72
TPSA
27.67
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
57.01
Supplementary Information
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