SMILES:
COc1ccc(C(CC(C)=O)N2C(=O)c3cccc(-c4ccc[nH]4)c3C2=O)cc1OC1CCCC1Molecular Processing
Molecular formula
C28H28N2O5
Molecular weight
472.54
Exact mass
472.1998
XLogP
5.33
TPSA
88.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
130.65
Supplementary Information
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