C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
Name: triamcinolone
SMILES: C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

Molecular Processing

Molecular formula
C21H27FO6
Molecular weight
394.44
Exact mass
394.1792
XLogP
0.62
TPSA
115.06
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
96.79

Supplementary Information

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