SMILES:
O=C1N(Cc2ncc(F)cc2F)c2ccccc2C12COc1cc3c(cc12)OCCO3Molecular Processing
Molecular formula
C23H16F2N2O4
Molecular weight
422.39
Exact mass
422.1078
XLogP
3.36
TPSA
60.89
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
105.49
Supplementary Information
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