SMILES:
CC(C)(C)OC(=O)N1CC=C(c2cccc3[nH]ccc23)CC1Molecular Processing
Molecular formula
C18H22N2O2
Molecular weight
298.39
Exact mass
298.1681
XLogP
4.19
TPSA
45.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
88.7
Supplementary Information
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