CN1CCC2(C)c3cc(C(=O)C(=O)OCCc4ccc(Cl)cc4)ccc3N(C)C12
SMILES: CN1CCC2(C)c3cc(C(=O)C(=O)OCCc4ccc(Cl)cc4)ccc3N(C)C12

Molecular Processing

Molecular formula
C23H25ClN2O3
Molecular weight
412.92
Exact mass
412.1554
XLogP
3.68
TPSA
49.85
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.68

Supplementary Information

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