SMILES:
CCCCN(CCCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1.[I-]Molecular Processing
Molecular formula
C26H38IN3S
Molecular weight
551.58
Exact mass
551.1831
XLogP
4.77
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
136.36
Supplementary Information
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