SMILES:
CC(N1CCCC(c2ccccn2)C1)C(O)(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C22H25F2N5O
Molecular weight
413.47
Exact mass
413.2027
XLogP
3.11
TPSA
67.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
107.52
Supplementary Information
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