SMILES:
COC(=O)c1ccc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1OCMolecular Processing
Molecular formula
C26H30O4
Molecular weight
406.52
Exact mass
406.2144
XLogP
4.92
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
117.9
Supplementary Information
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