SMILES:
COC(=O)CNC(=O)c1ncccc1SMolecular Processing
Molecular formula
C9H10N2O3S
Molecular weight
226.26
Exact mass
226.0412
XLogP
0.27
TPSA
68.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.84
Supplementary Information
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