Chemical Name - 3-Nitrophenol
Mol Weight - 139.11
Smiles - [O-][N+](c1cc(O)ccc1)=O
Mol Weight - 139.11
Smiles - [O-][N+](c1cc(O)ccc1)=O
| Property Value | |
| Mol Name | 3-Nitrophenol |
| Molweight | 139.11 |
| Monoisotopic Mass | 139.026944 |
| Clogp | 0.3923 |
| Clogs | -1.78 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 103.28 |
| Relative Psa | 0.42138 |
| Polar Surface Area | 66.05 |
| Druglikeness | -7.5665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.3819 |
| Molecular Complexity | 0.61821 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | [O-][N+](c1cc(O)ccc1)=O |
| InChIKey | InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H |
| InChI | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
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