Chemical Name - O-Cyano Phenol
Mol Weight - 119.123
Smiles - N#COc1ccccc1
Mol Weight - 119.123
Smiles - N#COc1ccccc1
| Property Value | |
| Mol Name | O-Cyano Phenol |
| Molweight | 119.123 |
| Monoisotopic Mass | 119.037114 |
| Clogp | 1.253 |
| Clogs | -1.968 |
| H Acceptors | 2 |
| Total Surface Area | 104.97 |
| Relative Psa | 0.22445 |
| Polar Surface Area | 33.02 |
| Druglikeness | -4.276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.32571 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Smiles | N#COc1ccccc1 |
| InChIKey | InChI=1S/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H |
| InChI | CWHFDTWZHFRTAB-UHFFFAOYSA-N |
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1 - O-Cyano Phenol
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2 - O-Cyano Phenol
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