Chemical Name - Menadione
Mol Weight - 172.183
Smiles - CC(C(c1c2cccc1)=O)=CC2=O
Mol Weight - 172.183
Smiles - CC(C(c1c2cccc1)=O)=CC2=O
| Property Value | |
| Mol Name | Menadione |
| Molweight | 172.183 |
| Monoisotopic Mass | 172.05243 |
| Clogp | 1.8796 |
| Clogs | -2.966 |
| H Acceptors | 2 |
| Total Surface Area | 132.23 |
| Relative Psa | 0.19723 |
| Polar Surface Area | 34.14 |
| Druglikeness | -1.5482 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.17453 |
| Molecular Complexity | 0.73452 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Smiles | CC(C(c1c2cccc1)=O)=CC2=O |
| InChIKey | InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 |
| InChI | MJVAVZPDRWSRRC-UHFFFAOYSA-N |
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