SMILES:
N#Cc1ccc(COCC[N+]23CCC(C(O)(c4ccccc4)c4ccccc4)(CC2)CC3)cc1Molecular Processing
Molecular formula
C30H33N2O2+
Molecular weight
453.61
Exact mass
453.2537
XLogP
5.01
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
132.71
Supplementary Information
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