CCCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1
SMILES: CCCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1

Molecular Processing

Molecular formula
C35H43N2O5S+
Molecular weight
603.81
Exact mass
603.2887
XLogP
6.49
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
171.65

Supplementary Information

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