CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
Name: Triamcinolone acetonide
SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

Molecular Processing

Molecular formula
C24H31FO6
Molecular weight
434.5
Exact mass
434.2105
XLogP
2.42
TPSA
93.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
108.6

Supplementary Information

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