이름: (adamantane-1-ylmethyl)oxycarbonyldifluoromethanesulfonic acid triethylammonium salt
SMILES:
CC[NH+](CC)CC.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-]Molecular Processing
Molecular formula
C19H33F2NO5S
Molecular weight
425.54
Exact mass
425.2048
XLogP
1.81
TPSA
87.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.947
Molar refractivity
98.79
Supplementary Information
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