Chemical Name - VALERONITRILE
Mol Weight - 83.1335
Smiles - CCCCC#N
Mol Weight - 83.1335
Smiles - CCCCC#N
| Property Value | |
| Mol Name | VALERONITRILE |
| Molweight | 83.1335 |
| Monoisotopic Mass | 83.073499 |
| Clogp | 1.586 |
| Clogs | -1.942 |
| H Acceptors | 1 |
| Total Surface Area | 88.75 |
| Relative Psa | 0.15279 |
| Polar Surface Area | 23.79 |
| Druglikeness | -17.274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 1 |
| Molecular Flexibility | 0.37151 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 4 |
| Smiles | CCCCC#N |
| InChIKey | |
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