Name: compound 4
SMILES:
CCCCCCCCCCCCCCCCOCC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C39H56O3
Molecular weight
572.87
Exact mass
572.4229
XLogP
10.1
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
24
Heavy atoms
42
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
176.87
Supplementary Information
Details werden geladen…
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