Mol Weight - 227.262
Smiles - CC(OC(c1ccccc1)c1ncccc1)=O
| Property Name | Property Value |
| Mol Name | Phenylpyridylmethyl Acetate |
| Molweight | 227.262 |
| Monoisotopic Mass | 227.094629 |
| Clogp | 2.3158 |
| Clogs | -2.399 |
| H Acceptors | 3 |
| Total Surface Area | 184.29 |
| Relative Psa | 0.18455 |
| Polar Surface Area | 39.19 |
| Druglikeness | -0.65521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.52941 |
| Molecular Flexibility | 0.372 |
| Molecular Complexity | 0.67019 |
| Fragments | 1 |
| Non H Atoms | 17 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | CC(OC(c1ccccc1)c1ncccc1)=O |
| InChIKey | InChI=1S/C14H13NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-10,14H,1H3 |
| InChI | HJHLXSGPHIJHQC-UHFFFAOYSA-N |
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1 — Phenylpyridylmethyl Acetate | 2 — Phenylpyridylmethyl Acetate