COc1c(SC)cc(C(=O)O)cc1C(F)(F)F
SMILES: COc1c(SC)cc(C(=O)O)cc1C(F)(F)F

Molecular Processing

Molecular formula
C10H9F3O3S
Molecular weight
266.24
Exact mass
266.0224
XLogP
3.13
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
56.74

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt