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Chem Rotigotine | Cheminformatics

Rotigotine


  • SKU Code: CH136895
Chemical Name - Rotigotine
Mol Weight - 315.48
Smiles - CCCN(CCc1cccs1)C(CC1)Cc2c1c(O)ccc2
Property Name Property Value
Mol NameRotigotine
Molweight315.48
Monoisotopic Mass315.165684
Clogp4.4143
Clogs-3.658
H Acceptors2
H Donors1
Total Surface Area253.19
Relative Psa0.14617
Polar Surface Area51.71
Druglikeness4.295
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.54545
Molecular Flexibility0.5218
Molecular Complexity0.7659
Fragments1
Non H Atoms22
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3 Atoms11
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCCCN(CCc1cccs1)C(CC1)Cc2c1c(O)ccc2
InChIKey
InChIC19H25NOS

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1 - Rotigotine
2 - Rotigotine
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