Chemical Name - Para Nitrotoluene
Mol Weight - 137.138
Smiles - Cc(cc1)ccc1[N+]([O-])=O
Mol Weight - 137.138
Smiles - Cc(cc1)ccc1[N+]([O-])=O
| Property Value | |
| Mol Name | Para Nitrotoluene |
| Molweight | 137.138 |
| Monoisotopic Mass | 137.047679 |
| Clogp | 1.0819 |
| Clogs | -2.42 |
| H Acceptors | 3 |
| Total Surface Area | 109.19 |
| Relative Psa | 0.2786 |
| Polar Surface Area | 45.82 |
| Druglikeness | -7.6962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.3819 |
| Molecular Complexity | 0.57807 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | Cc(cc1)ccc1[N+]([O-])=O |
| InChIKey | InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
| InChI | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
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