SMILES:
Cc1cc(C)c2c(c1C)OC(C)(CN1C(=O)c3ccccc3C1=O)C2Molecular Processing
Molecular formula
C21H21NO3
Molecular weight
335.4
Exact mass
335.1521
XLogP
3.6
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
95.2
Supplementary Information
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