Mol Weight - 180.21
Smiles - c1cc2ccc(cccn3)c3c2nc1.O
| Property Name | Property Value |
| Mol Name | 1,10-Phenanthroline monohydrate |
| Molweight | 180.21 |
| Monoisotopic Mass | 180.068748 |
| Clogp | 2.2916 |
| Clogs | -3.028 |
| H Acceptors | 2 |
| Total Surface Area | 139.98 |
| Relative Psa | 0.15674 |
| Polar Surface Area | 25.78 |
| Druglikeness | -1.8447 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Complexity | 0.71675 |
| Fragments | 2 |
| Non H Atoms | 14 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetric Atoms | 7 |
| Aromatic Nitrogens | 2 |
| Smiles | c1cc2ccc(cccn3)c3c2nc1.O |
| InChIKey | InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2 |
| InChI | PPQJCISYYXZCAE-UHFFFAOYSA-N |
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1 — 1,10-Phenanthroline monohydrate | 2 — 1,10-Phenanthroline monohydrate