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Chem 1 Hydroxybenzotriazole Molychem | Cheminformatics

1-Hydroxybenzotriazole


  • SKU Code: CH141012
Chemical Name - 1-Hydroxybenzotriazole
Mol Weight - 135.126
Smiles - On1nnc2c1cccc2
Property Name Property Value
Mol Name1-Hydroxybenzotriazole
Molweight135.126
Monoisotopic Mass135.043262
Clogp0.6152
Clogs-2.901
H Acceptors4
H Donors1
Total Surface Area100.93
Relative Psa0.41524
Polar Surface Area50.94
Druglikeness-4.8353
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Shape Index0.6
Molecular Complexity0.75224
Fragments1
Non H Atoms10
Non Ch Atoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms1
Aromatic Nitrogens3
Basic Nitrogens1
SmilesOn1nnc2c1cccc2
InChIKeyInChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
InChIASOKPJOREAFHNY-UHFFFAOYSA-N

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1 - 1-Hydroxybenzotriazole
2 - 1-Hydroxybenzotriazole
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