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Chem Danazol | Cheminformatics

Danazol


  • SKU Code: CH136915
Chemical Name - Danazol
Mol Weight - 337.461
Smiles - C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C1)C3=Cc3c1cno3)[C@@]2(C#C)O
Property Name Property Value
Mol NameDanazol
Molweight337.461
Monoisotopic Mass337.204179
Clogp3.4638
Clogs-4.884
H Acceptors3
H Donors1
Total Surface Area252.15
Relative Psa0.15142
Polar Surface Area46.26
Druglikeness2.0688
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.48
Molecular Flexibility0.12405
Molecular Complexity0.96444
Fragments1
Non H Atoms25
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers6
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms16
Aromatic Nitrogens1
SmilesC[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C1)C3=Cc3c1cno3)[C@@]2(C#C)O
InChIKey
InChIC22H27NO2

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