CCOC(=O)CCCc1ccc(CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1
SMILES: CCOC(=O)CCCc1ccc(CC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1

Molecular Processing

Molecular formula
C35H28ClF9N2O4
Molecular weight
747.05
Exact mass
746.1594
XLogP
9.07
TPSA
77.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
51
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
166.59

Supplementary Information

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