SMILES:
CCN1C(=O)c2ccccc2C1=O.CN(C)[SH](=O)=OMolecular Processing
Molecular formula
C12H16N2O4S
Molecular weight
284.34
Exact mass
284.0831
XLogP
0.38
TPSA
74.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
71.48
Supplementary Information
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