SMILES:
COc1ccc2c(c1)C1(C)CC(=O)N(C)C1(O)CC2Molecular Processing
Molecular formula
C15H19NO3
Molecular weight
261.32
Exact mass
261.1365
XLogP
1.45
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
71
Supplementary Information
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