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Chem Valacyclovir | Cheminformatics

Valacyclovir


  • SKU Code: CH136904
Chemical Name - Valacyclovir
Mol Weight - 324.34
Smiles - CC(C)[C@@H](C(OCCOCn1c(NC(N)=NC2=O)c2nc1)=O)N
Property Name Property Value
Mol NameValacyclovir
Molweight324.34
Monoisotopic Mass324.154604
Clogp-1.2529
Clogs-2.404
H Acceptors10
H Donors3
Total Surface Area245.49
Relative Psa0.47835
Polar Surface Area146.85
Druglikeness-20.843
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.6087
Molecular Flexibility0.60326
Molecular Complexity0.78295
Fragments1
Non H Atoms23
Non Ch Atoms10
Electronegative Atoms10
Stereo Centers1
Rotatable Bonds8
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms10
Symmetric Atoms1
Amines1
Alkyl Amines1
Aromatic Nitrogens2
Basic Nitrogens3
SmilesCC(C)[C@@H](C(OCCOCn1c(NC(N)=NC2=O)c2nc1)=O)N
InChIKey
InChIC13H20N6O4

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