SMILES:
COc1ccc(-c2cc(=O)[nH]c(=S)n2CCO)c(OC)n1Molecular Processing
Molecular formula
C13H15N3O4S
Molecular weight
309.35
Exact mass
309.0783
XLogP
0.98
TPSA
89.37
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
79.31
Supplementary Information
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