이름: 1,4-bis(2-methyl-2-cyanopropyl)tetramethylbenzene
SMILES:
Cc1c(C)c(CC(C)(C)C#N)c(C)c(C)c1CC(C)(C)C#NMolecular Processing
Molecular formula
C20H28N2
Molecular weight
296.46
Exact mass
296.2252
XLogP
5.1
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
91.59
Supplementary Information
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