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Chem Raloxifene 2 | Cheminformatics

Raloxifene


  • SKU Code: CH136948
Chemical Name - Raloxifene
Mol Weight - 473.591
Smiles - Oc(cc1)ccc1-c1c(C(c(cc2)ccc2OCCN2CCCCC2)=O)c(ccc(O)c2)c2s1
Property Name Property Value
Mol NameRaloxifene
Molweight473.591
Monoisotopic Mass473.166079
Clogp5.5983
Clogs-6.867
H Acceptors5
H Donors2
Total Surface Area356.89
Relative Psa0.20497
Polar Surface Area98.24
Druglikeness3.8547
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.55882
Molecular Flexibility0.47138
Molecular Complexity0.88637
Fragments1
Non H Atoms34
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3 Atoms11
Symmetric Atoms6
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesOc(cc1)ccc1-c1c(C(c(cc2)ccc2OCCN2CCCCC2)=O)c(ccc(O)c2)c2s1
InChIKey
InChIC28H27NO4S

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1 - Raloxifene
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