Name: ester
SMILES:
O=C(CCCCc1c2ccccc2nc2ccccc12)Oc1c(F)c(F)cc(F)c1FMolecular Processing
Molecular formula
C24H17F4NO2
Molecular weight
427.4
Exact mass
427.1195
XLogP
6.26
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
108.71
Supplementary Information
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