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Chem Budesonide | Cheminformatics

Budesonide


  • SKU Code: CH136943
Chemical Name - Budesonide
Mol Weight - 430.539
Smiles - CCCC(O[C@@H]1C[C@@H]([C@H](CC2)[C@H]3[C@@](C)(C=C4)C2=CC4=O)[C@]2(C)C[C@@H]3O)O[C@@]12C(CO)=O
Property Name Property Value
Mol NameBudesonide
Molweight430.539
Monoisotopic Mass430.23554
Clogp2.0988
Clogs-3.822
H Acceptors6
H Donors2
Total Surface Area304.74
Relative Psa0.23719
Polar Surface Area93.06
Druglikeness1.6963
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.48387
Molecular Flexibility0.20347
Molecular Complexity1.0659
Fragments1
Non H Atoms31
Non Ch Atoms6
Electronegative Atoms6
Stereo Centers9
Rotatable Bonds4
Rings Closures5
Small Rings5
Sp3 Atoms23
SmilesCCCC(O[C@@H]1C[C@@H]([C@H](CC2)[C@H]3[C@@](C)(C=C4)C2=CC4=O)[C@]2(C)C[C@@H]3O)O[C@@]12C(CO)=O
InChIKey
InChIC25H34O6

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