Chem Malononitrile 2 Lokc | Cheminformatics
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2D Structure

Malononitrile


  • SKU Code: CH141966
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Chemical Name - Malononitrile
Mol Weight - 66.0629
Smiles - N#CCC#N
InChI - CUONGYYJJVDODC-UHFFFAOYSA-N
InChIKey - InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
Property Name Property Value
Mol NameMalononitrile
Molweight66.0629
Monoisotopic Mass66.021798
Clogp-0.0772
Clogs-1.55
H Acceptors2
Total Surface Area70.68
Relative Psa0.3837
Polar Surface Area47.58
Druglikeness-9.205
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions1
Shape Index1
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms2
Electronegative Atoms2
Sp3 Atoms1
Symmetric Atoms2
SmilesN#CCC#N
InChIKeyInChI=1S/C3H2N2/c4-2-1-3-5/h1H2
InChICUONGYYJJVDODC-UHFFFAOYSA-N

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