O=C1c2c(cc(CO)cc2C(F)(F)F)C2CNCCN12
SMILES: O=C1c2c(cc(CO)cc2C(F)(F)F)C2CNCCN12

Molecular Processing

Molecular formula
C13H13F3N2O2
Molecular weight
286.25
Exact mass
286.0929
XLogP
1.3
TPSA
52.57
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.01

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→