SMILES:
C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)[N+]2=C1OCC2C1CC1Molecular Processing
Molecular formula
C26H28Cl2NO+
Molecular weight
441.42
Exact mass
440.1542
XLogP
7.02
TPSA
12.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
123.66
Supplementary Information
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