Chem 3 Aminocrotononitrile AlkaliMetal | Cheminformatics
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2D Structure

3-Aminocrotononitrile


  • SKU Code: CH140490
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Chemical Name - 3-Aminocrotononitrile
Mol Weight - 82.1056
Smiles - C/C(/N)=C/C#N
Property Name Property Value
Mol Name3-Aminocrotononitrile
Molweight82.1056
Monoisotopic Mass82.053098
Clogp0.3149
Clogs-1.451
H Acceptors2
H Donors1
Total Surface Area80.7
Relative Psa0.35725
Polar Surface Area49.81
Druglikeness-5.9558
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.83333
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Sp3 Atoms1
Basic Nitrogens1
SmilesC/C(/N)=C/C#N
InChIKeyInChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3
InChIDELJOESCKJGFML-UHFFFAOYSA-N

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