SMILES:
COc1cc2c(cc1OC)C1CC(=O)C3CCCC3N1CC2Molecular Processing
Molecular formula
C18H23NO3
Molecular weight
301.39
Exact mass
301.1678
XLogP
2.74
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
83.45
Supplementary Information
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