SMILES:
COC(=O)c1c(C(C)C)n(Cc2ccccc2)c2ccc(OC)cc12Molecular Processing
Molecular formula
C21H23NO3
Molecular weight
337.42
Exact mass
337.1678
XLogP
4.61
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
99.46
Supplementary Information
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