Name: product
SMILES:
CC(=O)SCC(C(=O)N[C@@H](CC(C)C)C(=O)O)C(F)(F)FMolecular Processing
Molecular formula
C12H18F3NO4S
Molecular weight
329.34
Exact mass
329.0909
XLogP
2.06
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
71.71
Supplementary Information
Details werden geladen…
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