SMILES:
CC(OC1C(Cl)=C(OC2=C(Cl)C(OC(C)C(=O)O)C(c3ccccc3C(F)(F)F)([N+](=O)[O-])C=C2)C=CC1(c1ccccc1C(F)(F)F)[N+](=O)[O-])C(=O)OMolecular Processing
Molecular formula
C32H24Cl2F6N2O11
Molecular weight
797.44
Exact mass
796.0661
XLogP
7.14
TPSA
188.57
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
53
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
169.3
Supplementary Information
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