SMILES:
CCc1sc(-c2ccc(Cl)cc2)cc1C1C(=O)C2C3CCC(O3)C2C1=OMolecular Processing
Molecular formula
C21H19ClO3S
Molecular weight
386.9
Exact mass
386.0743
XLogP
4.66
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
101.77
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→