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Chem Verapamil | Cheminformatics

Verapamil


  • SKU Code: CH136947
Chemical Name - Verapamil
Mol Weight - 454.609
Smiles - CC(C)C(CCCN(C)CCc(cc1)cc(OC)c1OC)(c(cc1)cc(OC)c1OC)C#N
Property Name Property Value
Mol NameVerapamil
Molweight454.609
Monoisotopic Mass454.283158
Clogp4.9303
Clogs-4.524
H Acceptors6
Total Surface Area382.56
Relative Psa0.14928
Polar Surface Area63.95
Druglikeness-2.2645
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.57576
Molecular Flexibility0.65132
Molecular Complexity0.79977
Fragments1
Non H Atoms33
Non Ch Atoms6
Electronegative Atoms6
Stereo Centers1
Rotatable Bonds13
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms19
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC(C)C(CCCN(C)CCc(cc1)cc(OC)c1OC)(c(cc1)cc(OC)c1OC)C#N
InChIKey
InChIC27H38N2O4

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|spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off