이름: TFA
SMILES:
CCCCC(=O)O[C@]1(C(=O)C(O)OC(=O)[C@@H](N)C(C)C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C34H47F4NO10
Molecular weight
705.74
Exact mass
705.3136
XLogP
4.12
TPSA
190.52
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
49
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
10
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.735
Molar refractivity
164.86
Supplementary Information
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