CCN1CCOc2ccc(Cc3cc(C4OC(CO)C(O)C(O)C4O)ccc3Cl)cc21
SMILES: CCN1CCOc2ccc(Cc3cc(C4OC(CO)C(O)C(O)C4O)ccc3Cl)cc21

Molecular Processing

Molecular formula
C23H28ClNO6
Molecular weight
449.93
Exact mass
449.1605
XLogP
1.66
TPSA
102.62
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
116.8

Supplementary Information

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