SMILES:
CC(C)(C)OC(=O)C1CN(Cc2ccc(C#N)cc2)C1Molecular Processing
Molecular formula
C16H20N2O2
Molecular weight
272.35
Exact mass
272.1525
XLogP
2.33
TPSA
53.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.77
Supplementary Information
Details werden geladen…
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