이름: product
SMILES:
O=[N+]([O-])c1ccc2c(c1)OC(CC(F)(F)F)(C(F)(F)F)O2Molecular Processing
Molecular formula
C10H5F6NO4
Molecular weight
317.14
Exact mass
317.0123
XLogP
3.58
TPSA
61.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
53.81
Supplementary Information
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