Chemical Name - Phloroglucinol dihydrate
Mol Weight - 126.111
Smiles - Oc1cc(O)cc(O)c1.O.O
Mol Weight - 126.111
Smiles - Oc1cc(O)cc(O)c1.O.O
| Property Value | |
| Mol Name | Phloroglucinol dihydrate |
| Molweight | 126.111 |
| Monoisotopic Mass | 126.031695 |
| Clogp | 0.6225 |
| Clogs | -0.728 |
| H Acceptors | 3 |
| H Donors | 3 |
| Total Surface Area | 92.31 |
| Relative Psa | 0.42574 |
| Polar Surface Area | 60.69 |
| Druglikeness | -2.2721 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.65976 |
| Fragments | 3 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 6 |
| Smiles | Oc1cc(O)cc(O)c1.O.O |
| InChIKey | InChI=1S/C6H6O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h1-3,7-9H;2*1H2 |
| InChI | MPYXTIHPALVENR-UHFFFAOYSA-N |
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1 - Phloroglucinol dihydrate
2 - Phloroglucinol dihydrate
1 - Phloroglucinol dihydrate
2 - Phloroglucinol dihydrate
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