SMILES:
CCCSc1ncccc1COc1ccc(C2CC2C(=O)O)cc1FMolecular Processing
Molecular formula
C19H20FNO3S
Molecular weight
361.44
Exact mass
361.1148
XLogP
4.49
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
94.47
Supplementary Information
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