SMILES:
Cc1ncc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(F)c(O)n2)c(C)n1Molecular Processing
Molecular formula
C22H20F2N4O3
Molecular weight
426.42
Exact mass
426.1503
XLogP
3.45
TPSA
97.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.68
Supplementary Information
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