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Chem Misoprostol | Cheminformatics

Misoprostol


  • SKU Code: CH136925
Chemical Name - Misoprostol
Mol Weight - 382.539
Smiles - CCCCC(C)(C/C=C/[C@H]([C@@H](CCCCCCC(OC)=O)C(C1)=O)[C@@H]1O)O
Property Name Property Value
Mol NameMisoprostol
Molweight382.539
Monoisotopic Mass382.271925
Clogp4.8535
Clogs-4.048
H Acceptors5
H Donors2
Total Surface Area320.75
Relative Psa0.19417
Polar Surface Area83.83
Druglikeness-23.368
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.7037
Molecular Flexibility0.59398
Molecular Complexity0.72942
Fragments1
Non H Atoms27
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers4
Rotatable Bonds14
Rings Closures1
Small Rings1
Sp3 Atoms21
SmilesCCCCC(C)(C/C=C/[C@H]([C@@H](CCCCCCC(OC)=O)C(C1)=O)[C@@H]1O)O
InChIKey
InChIC22H38O5

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