NC(=O)CCC(Sc1nnn[nH]1)C1=C(C(=O)O)N2C(=O)C(NC(=O)CSC(F)(F)F)[C@H]2SC1
SMILES: NC(=O)CCC(Sc1nnn[nH]1)C1=C(C(=O)O)N2C(=O)C(NC(=O)CSC(F)(F)F)[C@H]2SC1

Molecular Processing

Molecular formula
C15H16F3N7O5S3
Molecular weight
527.53
Exact mass
527.0327
XLogP
-0.08
TPSA
184.26
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
110.45

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→