SMILES:
COc1cccc([C@@]23CCCC[C@@H]2C(=O)N(CC2CC2)C(=O)C3)c1Molecular Processing
Molecular formula
C20H25NO3
Molecular weight
327.42
Exact mass
327.1834
XLogP
3.29
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
90.69
Supplementary Information
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