SMILES:
CCCC(CCC)N1CCc2c(C(=O)O)cc(-c3ccccc3C#N)cc2C1=OMolecular Processing
Molecular formula
C24H26N2O3
Molecular weight
390.48
Exact mass
390.1943
XLogP
4.89
TPSA
81.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
111.9
Supplementary Information
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