Chemical Name - p-Phenylenediamine
Mol Weight - 108.144
Smiles - Nc(cc1)ccc1N
Mol Weight - 108.144
Smiles - Nc(cc1)ccc1N
| Property Value | |
| Mol Name | p-Phenylenediamine |
| Molweight | 108.144 |
| Monoisotopic Mass | 108.068748 |
| Clogp | 0.305 |
| Clogs | -1.768 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 90.3 |
| Relative Psa | 0.33821 |
| Polar Surface Area | 52.04 |
| Druglikeness | -1.9084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1 |
| Shape Index | 0.75 |
| Molecular Complexity | 0.59947 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetric Atoms | 5 |
| Smiles | Nc(cc1)ccc1N |
| InChIKey | InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 |
| InChI | CBCKQZAAMUWICA-UHFFFAOYSA-N |
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