Name: product
SMILES:
COc1ccc(-c2n[nH]c(=O)c3ccsc23)cc1Molecular Processing
Molecular formula
C13H10N2O2S
Molecular weight
258.3
Exact mass
258.0463
XLogP
2.66
TPSA
54.98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
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
0.077
Molar refractivity
72.23
Supplementary Information
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