SMILES:
CCCCc1ncc(C=C(Cc2ccncc2)C(=O)OC)n1Cc1ccccc1ClMolecular Processing
Molecular formula
C24H26ClN3O2
Molecular weight
423.94
Exact mass
423.1714
XLogP
5.12
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
119.33
Supplementary Information
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