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Ketoconazole


  • SKU Code: CH136957
Chemical Name - Ketoconazole
Mol Weight - 531.438
Smiles - CC(N(CC1)CCN1c(cc1)ccc1OC[C@@H]1O[C@@](Cn2cncc2)(c(ccc(Cl)c2)c2Cl)OC1)=O
Property Name Property Value
Mol NameKetoconazole
Molweight531.438
Monoisotopic Mass530.14876
Clogp3.3639
Clogs-2.995
H Acceptors8
Total Surface Area384.42
Relative Psa0.17684
Polar Surface Area69.06
Druglikeness8.14
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Flexibility0.45696
Molecular Complexity0.87083
Fragments1
Non H Atoms36
Non Ch Atoms10
Electronegative Atoms10
Stereo Centers2
Rotatable Bonds7
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3 Atoms13
Symmetric Atoms4
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens2
Basic Nitrogens1
SmilesCC(N(CC1)CCN1c(cc1)ccc1OC[C@@H]1O[C@@](Cn2cncc2)(c(ccc(Cl)c2)c2Cl)OC1)=O
InChIC26H28N4O4Cl2

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