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Chem Tadalafil | Cheminformatics

Tadalafil


  • SKU Code: CH136928
Chemical Name - Tadalafil
Mol Weight - 389.41
Smiles - CN(CC(N([C@@H]1Cc2c3[nH]c4c2cccc4)[C@@H]3c(cc2)cc3c2OCO3)=O)C1=O
Property Name Property Value
Mol NameTadalafil
Molweight389.41
Monoisotopic Mass389.137557
Clogp2.396
Clogs-3.61
H Acceptors7
H Donors1
Total Surface Area271.33
Relative Psa0.24756
Polar Surface Area74.87
Druglikeness6.7598
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.37931
Molecular Flexibility0.17838
Molecular Complexity0.97829
Fragments1
Non H Atoms29
Non Ch Atoms7
Electronegative Atoms7
Stereo Centers2
Rotatable Bonds1
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3 Atoms8
Amides2
Aromatic Nitrogens1
SmilesCN(CC(N([C@@H]1Cc2c3[nH]c4c2cccc4)[C@@H]3c(cc2)cc3c2OCO3)=O)C1=O
InChIKey
InChIC22H19N3O4

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