Nombre: 4-(2-aminophenylthio)-5-chloro-3,6-di-n-octyloxyphthalonitrile
SMILES:
CCCCCCCCOc1c(Cl)c(Sc2ccccc2N)c(OCCCCCCCC)c(C#N)c1C#NMolecular Processing
Molecular formula
C30H40ClN3O2S
Molecular weight
542.19
Exact mass
541.253
XLogP
9.3
TPSA
92.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
153.6
Supplementary Information
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