Nombre: 9-keto-15-hydroxy-19-methyl-prosta-13,18-dienoic acid, methyl ester
SMILES:
COC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1C=CC(O)CCC=C(C)CMolecular Processing
Molecular formula
C22H36O4
Molecular weight
364.53
Exact mass
364.2614
XLogP
4.76
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
104.75
Supplementary Information
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