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Spironolactone


  • SKU Code: CH136929
Chemical Name - Spironolactone
Mol Weight - 416.58
Smiles - C[C@](CC[C@@H]1[C@@](C)(CC2)C(C3)=CC2=O)([C@@H](CC2)[C@@H]1[C@@H]3SC(C)=O)[C@@]2(CC1)OC1=O
Property Name Property Value
Mol NameSpironolactone
Molweight416.58
Monoisotopic Mass416.20213
Clogp3.2098
Clogs-4.349
H Acceptors4
Total Surface Area293.3
Relative Psa0.22711
Polar Surface Area85.74
Druglikeness-0.62033
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.44828
Molecular Flexibility0.18937
Molecular Complexity1.0033
Fragments1
Non H Atoms29
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers7
Rotatable Bonds2
Rings Closures5
Small Rings5
Sp3 Atoms21
SmilesC[C@](CC[C@@H]1[C@@](C)(CC2)C(C3)=CC2=O)([C@@H](CC2)[C@@H]1[C@@H]3SC(C)=O)[C@@]2(CC1)OC1=O
InChIC24H32O4S

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