CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(COC(N)=O)C3)C(C)C12
Nom: product
SMILES: CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3COC(COC(N)=O)C3)C(C)C12

Molecular Processing

Molecular formula
C23H27N3O9S
Molecular weight
521.55
Exact mass
521.1468
XLogP
1.69
TPSA
171.53
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
126.16

Supplementary Information

Récupération des détails…

Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→