Nom: 7-(3-[4-acetyl-3-hydroxy-2-n-propylphenoxy]-2-hydroxypropoxy)-4-benzyloxycoumarin
SMILES:
CCCc1c(OCC(O)COc2ccc3c(OCc4ccccc4)cc(=O)oc3c2)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C30H30O8
Molecular weight
518.56
Exact mass
518.1941
XLogP
5.05
TPSA
115.43
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
142.36
Supplementary Information
Récupération des détails…
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