Name: 2-cyano-3-methyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene
SMILES:
Cc1cc2c(cc1C#N)C(C)(C)CCC2(C)CMolecular Processing
Molecular formula
C16H21N
Molecular weight
227.35
Exact mass
227.1674
XLogP
4.22
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
71.18
Supplementary Information
Details werden geladen…
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