SMILES:
CCOC(=O)c1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2[nH]1Molecular Processing
Molecular formula
C21H23NO2
Molecular weight
321.42
Exact mass
321.1729
XLogP
5.31
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
98.39
Supplementary Information
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