الاسم: 2-(4-phenylthiophenyl) hexanenitrile
SMILES:
CCCCC(C#N)c1ccc(Sc2ccccc2)cc1Molecular Processing
Molecular formula
C18H19NS
Molecular weight
281.42
Exact mass
281.1238
XLogP
5.64
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
84.89
Supplementary Information
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