SMILES:
O=C1N(Cc2ccc(C(F)(F)F)o2)c2c(F)cccc2C12COc1cc3c(cc12)OCO3Molecular Processing
Molecular formula
C22H13F4NO5
Molecular weight
447.34
Exact mass
447.073
XLogP
4.39
TPSA
61.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
100.14
Supplementary Information
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