2D Structure

5-Phenyl-1h-1,2,3,4-Tetrazole


  • SKU Code: CH140682
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Chemical Name - 5-Phenyl-1h-1,2,3,4-Tetrazole
Mol Weight - 146.153
Smiles - c(cc1)ccc1-c1nnn[nH]1
Property Name Property Value
Mol Name5-Phenyl-1h-1,2,3,4-Tetrazole
Molweight146.153
Monoisotopic Mass146.059246
Clogp0.926
Clogs-2.898
H Acceptors4
H Donors1
Total Surface Area118.87
Relative Psa0.39455
Polar Surface Area54.46
Druglikeness-0.13186
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.63636
Molecular Flexibility0.37226
Molecular Complexity0.56687
Fragments1
Non H Atoms11
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Symmetric Atoms2
Aromatic Nitrogens4
Smilesc(cc1)ccc1-c1nnn[nH]1
InChIKeyInChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
InChIMARUHZGHZWCEQU-UHFFFAOYSA-N

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