SMILES:
CCCN(CCC)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[I-]Molecular Processing
Molecular formula
C20H26IN3S
Molecular weight
467.42
Exact mass
467.0892
XLogP
2.43
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
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
0.4
Molar refractivity
108.66
Supplementary Information
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