名称: TFA
SMILES:
CC(C)[C@H](N)C(=O)OC(O)C(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C29H39F4NO8
Molecular weight
605.62
Exact mass
605.2612
XLogP
3.12
TPSA
164.22
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
42
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
11
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.724
Molar refractivity
139.93
Supplementary Information
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