SMILES:
Cn1c(=O)c2c(-c3ccccc3)n(CC(S)CO)cc2n(C)c1=OMolecular Processing
Molecular formula
C17H19N3O3S
Molecular weight
345.42
Exact mass
345.1147
XLogP
1
TPSA
69.16
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
97.72
Supplementary Information
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