SMILES:
CC(=O)OCCCS(=O)c1cccc2nccn12Molecular Processing
Molecular formula
C12H14N2O3S
Molecular weight
266.32
Exact mass
266.0725
XLogP
1.4
TPSA
60.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.72
Supplementary Information
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