O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Name: perfluorooctanoate
SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Processing

Molecular formula
C8F15O2-
Molecular weight
413.06
Exact mass
412.9664
XLogP
3.11
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
25
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.74

Supplementary Information

Details werden geladen…

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