SMILES:
COc1cccc(CC2(O)c3ccccc3CCC2CN(C)C)c1Molecular Processing
Molecular formula
C21H27NO2
Molecular weight
325.45
Exact mass
325.2042
XLogP
3.25
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
97.4
Supplementary Information
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