Name: aldehyde
SMILES:
CS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2CCC=O)cc1Molecular Processing
Molecular formula
C20H16F2N2O4S
Molecular weight
418.42
Exact mass
418.0799
XLogP
2.71
TPSA
86.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
102.68
Supplementary Information
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