SMILES:
N#Cc1ccc(COCC[N+]23CCC(CC2)C(OC(=O)C2(c4ccccc4)CCCCCC2)C3)cc1Molecular Processing
Molecular formula
C31H39N2O3+
Molecular weight
487.66
Exact mass
487.2955
XLogP
5.52
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
36
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
138.97
Supplementary Information
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