SMILES:
CCN1C(=O)c2ccccc2C1=O.O=[SH](=O)Nc1ccccc1Molecular Processing
Molecular formula
C16H16N2O4S
Molecular weight
332.38
Exact mass
332.0831
XLogP
1.93
TPSA
83.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.125
Molar refractivity
87.86
Supplementary Information
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