SMILES:
CC1(C)OC[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4c(C5CC5)c(C#N)ccc4c2C3=O)O1Molecular Processing
Molecular formula
C28H28N2O4
Molecular weight
456.54
Exact mass
456.2049
XLogP
5.32
TPSA
84.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
127.39
Supplementary Information
Obteniendo detalles…
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