SMILES:
CC(=O)OC1C([N+]2(C)CCCC2)CC2C3CCC4CC(O)C(N5CCC(O)CC5)CC4(C)C3CCC21CMolecular Processing
Molecular formula
C31H53N2O4+
Molecular weight
517.78
Exact mass
517.4
XLogP
3.98
TPSA
70
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
37
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
10
Undefined stereo
10
Formal charge
1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.968
Molar refractivity
143.6
Supplementary Information
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