SMILES:
CCCCCN(CCCCC)c1ccc2nc3ccc(N(CCC)CCC)cc3[s+]c2c1.[I-]Molecular Processing
Molecular formula
C28H42IN3S
Molecular weight
579.64
Exact mass
579.2144
XLogP
5.55
TPSA
19.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
33
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
0.571
Molar refractivity
145.59
Supplementary Information
Details werden geladen…
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