SMILES:
O=[N+]([O-])c1cc(C(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1ClMolecular Processing
Molecular formula
C25H26ClN3O3
Molecular weight
451.95
Exact mass
451.1663
XLogP
4.69
TPSA
69.85
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
125.81
Supplementary Information
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