SMILES:
CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1cc[n+](C)cc1.[I-]Molecular Processing
Molecular formula
C27H44IN3O
Molecular weight
553.57
Exact mass
553.2529
XLogP
2.26
TPSA
36.22
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
11
Heavy atoms
32
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.778
Molar refractivity
125.66
Supplementary Information
Obteniendo detalles…
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