Nombre: tert-butyl-1-[2-hydroxy-3-(4-octylphenoxy)propyl]pyrrole-3-carboxylate
SMILES:
CCCCCCCCc1ccc(OCC(O)Cn2ccc(C(=O)OC(C)(C)C)c2)cc1Molecular Processing
Molecular formula
C26H39NO4
Molecular weight
429.6
Exact mass
429.2879
XLogP
5.79
TPSA
60.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
124.62
Supplementary Information
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