COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1OC(=O)c1ccc2ccccc2c1
SMILES: COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1OC(=O)c1ccc2ccccc2c1

Molecular Processing

Molecular formula
C24H15ClF4N2O5
Molecular weight
522.84
Exact mass
522.0606
XLogP
4.73
TPSA
79.53
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
122.71

Supplementary Information

Details werden geladen…

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