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Chem Ivabradine | Cheminformatics

Ivabradine


  • SKU Code: CH136950
Chemical Name - Ivabradine
Mol Weight - 468.592
Smiles - CN(CCCN(CCc(cc1OC)c(C2)cc1OC)C2=O)C[C@@H](C1)c(cc2OC)c1cc2OC
Property Name Property Value
Mol NameIvabradine
Molweight468.592
Monoisotopic Mass468.262423
Clogp3.6523
Clogs-3.19
H Acceptors7
Total Surface Area368.25
Relative Psa0.16331
Polar Surface Area60.47
Druglikeness7.003
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.58824
Molecular Flexibility0.54561
Molecular Complexity0.8878
Fragments1
Non H Atoms34
Non Ch Atoms7
Electronegative Atoms7
Stereo Centers1
Rotatable Bonds10
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms19
Amides1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCN(CCCN(CCc(cc1OC)c(C2)cc1OC)C2=O)C[C@@H](C1)c(cc2OC)c1cc2OC
InChIKey
InChIC27H36N2O5

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