SMILES:
Cc1c(CN2CC3C(OC(=O)c4ccccc4)CCC3C2=O)ccc(C#N)c1ClMolecular Processing
Molecular formula
C23H21ClN2O3
Molecular weight
408.89
Exact mass
408.1241
XLogP
4.11
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
108.18
Supplementary Information
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