Chemical Name - Ninhydrin
Mol Weight - 178.143
Smiles - OC(C(c1c2cccc1)=O)(C2=O)O
Mol Weight - 178.143
Smiles - OC(C(c1c2cccc1)=O)(C2=O)O
| Property Value | |
| Mol Name | Ninhydrin |
| Molweight | 178.143 |
| Monoisotopic Mass | 178.02661 |
| Clogp | 0.1098 |
| Clogs | -2.084 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 118.37 |
| Relative Psa | 0.44167 |
| Polar Surface Area | 74.6 |
| Druglikeness | 0.5775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.46154 |
| Molecular Complexity | 0.74343 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 6 |
| Smiles | OC(C(c1c2cccc1)=O)(C2=O)O |
| InChIKey | InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H |
| InChI | FEMOMIGRRWSMCU-UHFFFAOYSA-N |
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1 - Ninhydrin
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