Name: ethyl 4-[(4-fluorophenyl)thio]-3-oxocyclohexanecarboxylate
SMILES:
CCOC(=O)C1CCC(Sc2ccc(F)cc2)C(=O)C1Molecular Processing
Molecular formula
C15H17FO3S
Molecular weight
296.36
Exact mass
296.0882
XLogP
3.22
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
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
0.467
Molar refractivity
75.03
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→