Chemical Name - Pyranol
Mol Weight - 98.1006
Smiles - OC1OC=CC=C1
Mol Weight - 98.1006
Smiles - OC1OC=CC=C1
| Property Value | |
| Mol Name | Pyranol |
| Molweight | 98.1006 |
| Monoisotopic Mass | 98.03678 |
| Clogp | -0.0054 |
| Clogs | -1.071 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 81.85 |
| Relative Psa | 0.28222 |
| Polar Surface Area | 29.46 |
| Druglikeness | -1.2483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.22518 |
| Molecular Complexity | 0.73241 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 3 |
| Smiles | OC1OC=CC=C1 |
| InChIKey | InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-6H |
| InChI | GSSXLFACIJSBOM-UHFFFAOYSA-N |
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1 - Pyranol
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