SMILES:
COc1ccc2c(c1)C13CCN(CC4CCCO4)C(C2)C1(OC)CCC(=O)C3Molecular Processing
Molecular formula
C23H31NO4
Molecular weight
385.5
Exact mass
385.2253
XLogP
2.88
TPSA
48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
105.93
Supplementary Information
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