Chemical Name - Nitromethane
Mol Weight - 61.0398
Smiles - C[N+]([O-])=O
Mol Weight - 61.0398
Smiles - C[N+]([O-])=O
| Property Value | |
| Mol Name | Nitromethane |
| Molweight | 61.0398 |
| Monoisotopic Mass | 61.016379 |
| Clogp | -0.9609 |
| Clogs | -0.604 |
| H Acceptors | 3 |
| Total Surface Area | 49.43 |
| Relative Psa | 0.61542 |
| Polar Surface Area | 45.82 |
| Druglikeness | -5.2 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | C[N+]([O-])=O |
| InChIKey | |
| InChI | CH3NO2 |
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1 - Nitromethane
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