Name: subtitle product
SMILES:
Cc1cccc(CSc2nc(N[C@H](C)CO)cc(NS(C)(=O)=O)n2)c1FMolecular Processing
Molecular formula
C16H21FN4O3S2
Molecular weight
400.5
Exact mass
400.1039
XLogP
2.38
TPSA
104.21
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
101.37
Supplementary Information
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