O=[N+]([O-])c1ccc(-c2nn(CCCO)cc2-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)cc1
SMILES: O=[N+]([O-])c1ccc(-c2nn(CCCO)cc2-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)cc1

Molecular Processing

Molecular formula
C25H21N5O5S
Molecular weight
503.54
Exact mass
503.1263
XLogP
4.09
TPSA
133.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
133.77

Supplementary Information

Récupération des détails…

Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→