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Chem Dexamethasone 2 Unilink | Cheminformatics

Dexamethasone


  • SKU Code: CH139884
Chemical Name - Dexamethasone
Mol Weight - 392.465
Smiles - C[C@H](C[C@@H]([C@H](CCC([C@]1(C)C=C2)=CC2=O)[C@@]11F)[C@]2(C)C[C@@H]1O)[C@@]2(C(CO)=O)O
Property Name Property Value
Mol NameDexamethasone
Molweight392.465
Monoisotopic Mass392.199903
Clogp1.2884
Clogs-3.25
H Acceptors5
H Donors3
Total Surface Area268.83
Relative Psa0.2432
Polar Surface Area94.83
Druglikeness3.1791
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.46429
Molecular Flexibility0.17388
Molecular Complexity1.024
Fragments1
Non H Atoms28
Non Ch Atoms6
Electronegative Atoms6
Stereo Centers8
Rotatable Bonds2
Rings Closures4
Small Rings4
Sp3 Atoms19
SmilesC[C@H](C[C@@H]([C@H](CCC([C@]1(C)C=C2)=CC2=O)[C@@]11F)[C@]2(C)C[C@@H]1O)[C@@]2(C(CO)=O)O
InChIKeyInChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16+,17-,19-,20-,21-,22-/m0/s1
InChIUREBDLICKHMUKA-FISBFHOMSA-N

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