SMILES:
CCCCc1ncc(CC(Cc2ccccc2)C(=O)OC)n1Cc1ccccc1ClMolecular Processing
Molecular formula
C25H29ClN2O2
Molecular weight
424.97
Exact mass
424.1918
XLogP
5.5
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
120.75
Supplementary Information
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