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Chem Carvedilol | Cheminformatics

Carvedilol


  • SKU Code: CH136932
Chemical Name - Carvedilol
Mol Weight - 406.48
Smiles - COc(cccc1)c1OCCNCC(COc1c(c(cccc2)c2[nH]2)c2ccc1)O
Property Name Property Value
Mol NameCarvedilol
Molweight406.48
Monoisotopic Mass406.189258
Clogp3.1668
Clogs-4.584
H Acceptors6
H Donors3
Total Surface Area319.4
Relative Psa0.21462
Polar Surface Area75.74
Druglikeness3.4008
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.6
Molecular Flexibility0.50512
Molecular Complexity0.84746
Fragments1
Non H Atoms30
Non Ch Atoms6
Electronegative Atoms6
Stereo Centers1
Rotatable Bonds10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms19
Sp3 Atoms11
Amines1
Alkyl Amines1
Aromatic Nitrogens1
Basic Nitrogens1
SmilesCOc(cccc1)c1OCCNCC(COc1c(c(cccc2)c2[nH]2)c2ccc1)O
InChIKey
InChIC24H26N2O4

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