SMILES:
CCN(CCO)CCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1.ClMolecular Processing
Molecular formula
C21H26Cl2N2O2
Molecular weight
409.36
Exact mass
408.1371
XLogP
4.85
TPSA
56.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
111.66
Supplementary Information
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