COc1cc(CN2CCN(C(=O)C3=Cc4ccc(OCc5ccccc5)cc4CC3)CC2)cc(OC)c1OC.Cl
SMILES: COc1cc(CN2CCN(C(=O)C3=Cc4ccc(OCc5ccccc5)cc4CC3)CC2)cc(OC)c1OC.Cl

Molecular Processing

Molecular formula
C32H37ClN2O5
Molecular weight
565.11
Exact mass
564.2391
XLogP
5.39
TPSA
60.47
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.344
Molar refractivity
158.72

Supplementary Information

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