SMILES:
CC(SC(CO)CO)C(O)(Cn1cncn1)c1cc(F)ccc1FMolecular Processing
Molecular formula
C15H19F2N3O3S
Molecular weight
359.4
Exact mass
359.1115
XLogP
0.92
TPSA
91.4
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
85.29
Supplementary Information
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