SMILES:
CCCC(=O)c1cnc2c(OCCCN3CCCCC3)cccc2c1Nc1ccccc1CMolecular Processing
Molecular formula
C28H35N3O2
Molecular weight
445.61
Exact mass
445.2729
XLogP
6.52
TPSA
54.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
135.85
Supplementary Information
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