SMILES:
O=C1OC2(CCN(C(=O)C3(c4ccc(OC(F)F)cc4)CC3)C2)c2ccncc21Molecular Processing
Molecular formula
C21H18F2N2O4
Molecular weight
400.38
Exact mass
400.1235
XLogP
3.01
TPSA
68.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
96.51
Supplementary Information
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