SMILES:
O=C(OC1C[N+]2(CCCc3ccncc3)CCC1CC2)C1(c2ccccc2)CCCCCC1Molecular Processing
Molecular formula
C29H39N2O2+
Molecular weight
447.64
Exact mass
447.3006
XLogP
5.46
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
33
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
130.71
Supplementary Information
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