Mol Weight - 419.522
Smiles - Cc1c(-c(cc2)ccc2OCc2ccccc2)[nH]c(cc2)c1cc2OCc1ccccc1
| Property Name | Property Value |
| Mol Name | 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole |
| Molweight | 419.522 |
| Monoisotopic Mass | 419.188529 |
| Clogp | 6.4893 |
| Clogs | -6.945 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 336.49 |
| Relative Psa | 0.10101 |
| Polar Surface Area | 34.25 |
| Druglikeness | -0.26484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.65625 |
| Molecular Flexibility | 0.36546 |
| Molecular Complexity | 0.83603 |
| Fragments | 1 |
| Non H Atoms | 32 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 6 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc1c(-c(cc2)ccc2OCc2ccccc2)[nH]c(cc2)c1cc2OCc1ccccc1 |
| InChIKey | InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3 |
| InChI | KRIJKJMYOVWRSJ-UHFFFAOYSA-N |
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1 — 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole | 2 — 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1H-indole