O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1[C@@H]1O[C@H](CI)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
SMILES: O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1[C@@H]1O[C@H](CI)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Molecular Processing

Molecular formula
C40H30F2IN3O5
Molecular weight
797.6
Exact mass
797.1198
XLogP
8.48
TPSA
94.58
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
51
Rings
9
Aromatic rings
7
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
197.97

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→