Chem Pyrrole 2 Carbaldehyde Dsrpl | Cheminformatics
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2D Structure

pyrrole-2-carbaldehyde


  • SKU Code: CH141177
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Chemical Name - pyrrole-2-carbaldehyde
Mol Weight - 95.1007
Smiles - O=Cc1ccc[nH]1
Property Name Property Value
Mol Namepyrrole-2-carbaldehyde
Molweight95.1007
Monoisotopic Mass95.037114
Clogp0.3694
Clogs-0.988
H Acceptors2
H Donors1
Total Surface Area82.37
Relative Psa0.32815
Polar Surface Area32.86
Druglikeness-1.6209
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.71429
Molecular Flexibility0.12152
Molecular Complexity0.76753
Fragments1
Non H Atoms7
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Aromatic Nitrogens1
SmilesO=Cc1ccc[nH]1
InChIKeyInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
InChIZSKGQVFRTSEPJT-UHFFFAOYSA-N

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