SMILES:
O=C(O)CCc1ccc(OCc2cccc(SC3CCCC3)n2)c(Cl)c1Molecular Processing
Molecular formula
C20H22ClNO3S
Molecular weight
391.92
Exact mass
391.1009
XLogP
5.37
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
104.09
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→