SMILES:
CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1c1ccc(F)c(Cl)c1Molecular Processing
Molecular formula
C21H29ClFN3O2
Molecular weight
409.93
Exact mass
409.1932
XLogP
2.75
TPSA
47.02
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
108.15
Supplementary Information
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