SMILES:
O=C(O)C1CC1c1ccc(OCc2cccc(SC3CCCC3)n2)c(F)c1Molecular Processing
Molecular formula
C21H22FNO3S
Molecular weight
387.48
Exact mass
387.1304
XLogP
5.02
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
101.57
Supplementary Information
Obteniendo detalles…
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