Chemical Name - 3-Aminocrotononitrile
Mol Weight - 82.1056
Smiles - C/C(/N)=C/C#N
Mol Weight - 82.1056
Smiles - C/C(/N)=C/C#N
| Property Value | |
| Mol Name | 3-Aminocrotononitrile |
| Molweight | 82.1056 |
| Monoisotopic Mass | 82.053098 |
| Clogp | 0.3149 |
| Clogs | -1.451 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 80.7 |
| Relative Psa | 0.35725 |
| Polar Surface Area | 49.81 |
| Druglikeness | -5.9558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.83333 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Sp3 Atoms | 1 |
| Basic Nitrogens | 1 |
| Smiles | C/C(/N)=C/C#N |
| InChIKey | InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3 |
| InChI | DELJOESCKJGFML-UHFFFAOYSA-N |
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1 - 3-Aminocrotononitrile
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1 - 3-Aminocrotononitrile
2 - 3-Aminocrotononitrile
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