SMILES:
C=C=C[C@H]1[C@@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)CMolecular Processing
Molecular formula
C23H21NO3
Molecular weight
359.43
Exact mass
359.1521
XLogP
5.2
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
101.88
Supplementary Information
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