SMILES:
CC(C)(C)OC(=O)C1CC(c2cccs2)=NN1Molecular Processing
Molecular formula
C12H16N2O2S
Molecular weight
252.34
Exact mass
252.0932
XLogP
2.16
TPSA
50.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.24
Supplementary Information
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