SMILES:
CC(=O)NC1=C2C=CC3C(CCC4(C)C(=O)CCC34)C2(C)C=CC1=OMolecular Processing
Molecular formula
C21H25NO3
Molecular weight
339.44
Exact mass
339.1834
XLogP
3.1
TPSA
63.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
94.29
Supplementary Information
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