SMILES:
Cc1cc(Br)ccc1-c1ncc(C(C)OC2=CC(=O)C3C4CCC(O4)C23)s1Molecular Processing
Molecular formula
C21H20BrNO3S
Molecular weight
446.37
Exact mass
445.0347
XLogP
5.22
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
107.45
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→