SMILES:
COc1cccc([C@]23CCN(C)C(=O)[C@H]2CCC(=O)C3)c1Molecular Processing
Molecular formula
C17H21NO3
Molecular weight
287.36
Exact mass
287.1521
XLogP
2.16
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
79.27
Supplementary Information
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