SMILES:
COc1ccc2ncc(F)c(N3CCCN(C(=O)OCc4ccccc4)CC3)c2n1Molecular Processing
Molecular formula
C22H23FN4O3
Molecular weight
410.45
Exact mass
410.1754
XLogP
3.63
TPSA
67.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.08
Supplementary Information
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