SMILES:
COC(=O)c1ccc2c(COc3cccnc3)csc2c1Molecular Processing
Molecular formula
C16H13NO3S
Molecular weight
299.35
Exact mass
299.0616
XLogP
3.66
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
81.73
Supplementary Information
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