Nom: PGE2
SMILES:
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OMolecular Processing
Molecular formula
C20H32O5
Molecular weight
352.47
Exact mass
352.225
XLogP
3.25
TPSA
94.83
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
97.14
Supplementary Information
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