SMILES:
CC(C)C(C(=O)OCc1[nH]ccc1Cc1ccc(F)cc1)c1cc2cc(Cl)ccc2s1Molecular Processing
Molecular formula
C25H23ClFNO2S
Molecular weight
455.98
Exact mass
455.1122
XLogP
7.1
TPSA
42.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.21
Supplementary Information
Obteniendo detalles…
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