Chem Norethisterone Unilink | Cheminformatics
2D Structure

Norethisterone


  • SKU Code: CH139839
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Chemical Name - Norethisterone
Mol Weight - 298.424
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@H](CC1)C3=CC1=O)[C@@]2(C#C)O
Property Name Property Value
Mol NameNorethisterone
Molweight298.424
Monoisotopic Mass298.19328
Clogp3.0836
Clogs-4.317
H Acceptors2
H Donors1
Total Surface Area225.28
Relative Psa0.11603
Polar Surface Area37.3
Druglikeness1.8438
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.54545
Molecular Flexibility0.15785
Molecular Complexity0.92104
Fragments1
Non H Atoms22
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers6
Rings Closures4
Small Rings4
Sp3 Atoms16
SmilesC[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@H](CC1)C3=CC1=O)[C@@]2(C#C)O
InChIKeyInChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChIVIKNJXKGJWUCNN-MILMJNAHSA-N

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