SMILES:
OC(c1cccs1)(c1cccs1)C12CC[N+](CCOc3ccccc3)(CC1)CC2Molecular Processing
Molecular formula
C24H28NO2S2+
Molecular weight
426.63
Exact mass
426.1556
XLogP
5.13
TPSA
29.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
119.59
Supplementary Information
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