Nom: title compound
SMILES:
CC(C)CCC1(c2ccccc2)CC(O)=C(Sc2ccccc2)C(=O)O1Molecular Processing
Molecular formula
C22H24O3S
Molecular weight
368.5
Exact mass
368.1446
XLogP
5.83
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
104.85
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→