CC1(C)SC(c2ccc(F)cc2)NC1C(=O)O
SMILES: CC1(C)SC(c2ccc(F)cc2)NC1C(=O)O

Molecular Processing

Molecular formula
C12H14FNO2S
Molecular weight
255.31
Exact mass
255.0729
XLogP
2.39
TPSA
49.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
65.37

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→