Name: 2-(4-methylphenyl)-2-methylpropionitrile
SMILES:
Cc1ccc(C(C)(C)C#N)cc1Molecular Processing
Molecular formula
C11H13N
Molecular weight
159.23
Exact mass
159.1048
XLogP
2.8
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
49.82
Supplementary Information
Details werden geladen…
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