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Chem Paliperidone | Cheminformatics

Paliperidone


  • SKU Code: CH136944
Chemical Name - Paliperidone
Mol Weight - 426.49
Smiles - CC(N=C1N2CCCC1O)=C(CCN(CC1)CCC1c1noc3c1ccc(F)c3)C2=O
Property Name Property Value
Mol NamePaliperidone
Molweight426.49
Monoisotopic Mass426.206719
Clogp2.6847
Clogs-3.922
H Acceptors7
H Donors1
Total Surface Area313.85
Relative Psa0.22249
Polar Surface Area82.17
Druglikeness7.1426
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.58065
Molecular Flexibility0.41217
Molecular Complexity0.8988
Fragments1
Non H Atoms31
Non Ch Atoms8
Electronegative Atoms8
Stereo Centers1
Rotatable Bonds4
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms14
Symmetric Atoms2
Amides1
Amines1
Alkyl Amines1
Aromatic Nitrogens1
Basic Nitrogens2
SmilesCC(N=C1N2CCCC1O)=C(CCN(CC1)CCC1c1noc3c1ccc(F)c3)C2=O
InChIKey
InChIC23H27N4O3F

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