SMILES:
CC1(c2ccc3cc(OC4CCC(c5ccccc5)CC4)ccc3c2)COC(=O)N1Molecular Processing
Molecular formula
C26H27NO3
Molecular weight
401.51
Exact mass
401.1991
XLogP
5.9
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
117.85
Supplementary Information
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