Chem 1h Pyrrole 2 Carboxaldehydeoxime Dsrpl | Cheminformatics
2D Structure

1H-Pyrrole-2-carboxaldehydeoxime


  • SKU Code: CH141187
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Chemical Name - 1H-Pyrrole-2-carboxaldehydeoxime
Mol Weight - 110.116
Smiles - ON=Cc1ccc[nH]1
Property Name Property Value
Mol Name1H-Pyrrole-2-carboxaldehydeoxime
Molweight110.116
Monoisotopic Mass110.048013
Clogp0.9908
Clogs-1.363
H Acceptors3
H Donors2
Total Surface Area93.94
Relative Psa0.4109
Polar Surface Area48.38
Druglikeness0.995
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.02539
Molecular Complexity0.65976
Fragments1
Non H Atoms8
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms1
Aromatic Nitrogens1
SmilesON=Cc1ccc[nH]1
InChIKeyInChI=1S/C5H6N2O/c8-7-4-5-2-1-3-6-5/h1-4,6,8H
InChIBBRQKFAQWZJCJL-UHFFFAOYSA-N

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