SMILES:
Nc1cc[n+](Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1.[Br-]Molecular Processing
Molecular formula
C27H27BrN2O
Molecular weight
475.43
Exact mass
474.1307
XLogP
2.36
TPSA
39.13
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.148
Molar refractivity
121.17
Supplementary Information
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