Name: methyl benzo-1,2,3-thiadiazole-7-carboxylate
SMILES:
COC(=O)c1cccc2nnsc12Molecular Processing
Molecular formula
C8H6N2O2S
Molecular weight
194.21
Exact mass
194.015
XLogP
1.48
TPSA
52.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
48.75
Supplementary Information
Details werden geladen…
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