Mol Weight - 294.349
Smiles - CCCCc1c(C(c(cc2)ccc2O)=O)c(cccc2)c2o1
| Property Name | Property Value |
| Mol Name | 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran |
| Molweight | 294.349 |
| Monoisotopic Mass | 294.125595 |
| Clogp | 4.6178 |
| Clogs | -5.646 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 234.95 |
| Relative Psa | 0.17131 |
| Polar Surface Area | 50.44 |
| Druglikeness | -5.1888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.46486 |
| Molecular Complexity | 0.82449 |
| Fragments | 1 |
| Non H Atoms | 22 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | CCCCc1c(C(c(cc2)ccc2O)=O)c(cccc2)c2o1 |
| InChIKey | InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3 |
| InChI | ZHGKQUXXASLVQQ-UHFFFAOYSA-N |
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1 — 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran | 2 — 2-Butyl – 3(-4 Hydroxybenzoyl) Benzofuran