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Chem Artemisinin Unilink | Cheminformatics

Artemisinin


  • SKU Code: CH139821
Chemical Name - Artemisinin
Mol Weight - 282.335
Smiles - C[C@H](CC[C@H]1[C@H]2C)[C@H](CC3)[C@]11OO[C@@]3(C)O[C@H]1OC2=O
Property Name Property Value
Mol NameArtemisinin
Molweight282.335
Monoisotopic Mass282.146725
Clogp2.2576
Clogs-3.29
H Acceptors5
Total Surface Area192.39
Relative Psa0.27569
Polar Surface Area53.99
Druglikeness-1.9658
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.4
Molecular Flexibility0.18985
Molecular Complexity0.97979
Fragments1
Non H Atoms20
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers7
Rings Closures4
Small Rings5
Sp3 Atoms18
SmilesC[C@H](CC[C@H]1[C@H]2C)[C@H](CC3)[C@]11OO[C@@]3(C)O[C@H]1OC2=O
InChIKeyInChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11+,13+,14+,15+/m0/s1
InChIBLUAFEHZUWYNDE-MZYZVZIRSA-N

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