SMILES:
CN1CCOC(COC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1.Cl.ClMolecular Processing
Molecular formula
C17H26Cl3N3O3
Molecular weight
426.77
Exact mass
425.104
XLogP
2.77
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.588
Molar refractivity
108.32
Supplementary Information
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