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Posaconazole


  • SKU Code: CH136965
Chemical Name - Posaconazole
Mol Weight - 700.788
Smiles - CC[C@@H]([C@H](C)O)N(C1=O)N=CN1c(cc1)ccc1N(CC1)CCN1c(cc1)ccc1OC[C@@H](C1)CO[C@@]1(Cn1ncnc1)c(ccc(F)c1)c1F
Property Name Property Value
Mol NamePosaconazole
Molweight700.788
Monoisotopic Mass700.329708
Clogp4.2308
Clogs-7.42
H Acceptors12
H Donors1
Total Surface Area517.79
Relative Psa0.1944
Polar Surface Area111.79
Druglikeness5.895
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.54902
Molecular Flexibility0.40989
Molecular Complexity0.9583
Fragments1
Non H Atoms51
Non Ch Atoms14
Electronegative Atoms14
Stereo Centers4
Rotatable Bonds12
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3 Atoms18
Symmetric Atoms6
Amides1
Amines2
Aromatic Amines2
Aromatic Nitrogens3
SmilesCC[C@@H]([C@H](C)O)N(C1=O)N=CN1c(cc1)ccc1N(CC1)CCN1c(cc1)ccc1OC[C@@H](C1)CO[C@@]1(Cn1ncnc1)c(ccc(F)c1)c1F
InChIC37H42N8O4F2

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