Mol Weight - 351.452
Smiles - Nc1c(CC(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1
| Property Name | Property Value |
| Mol Name | 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine |
| Molweight | 351.452 |
| Monoisotopic Mass | 351.173547 |
| Clogp | 4.7901 |
| Clogs | -5.529 |
| H Acceptors | 3 |
| H Donors | 3 |
| Total Surface Area | 275.9 |
| Relative Psa | 0.15676 |
| Polar Surface Area | 57.6 |
| Druglikeness | 0.33135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.40741 |
| Molecular Flexibility | 0.33963 |
| Molecular Complexity | 0.86791 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 9 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| Smiles | Nc1c(CC(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1 |
| InChIKey | InChI=1S/C24H21N3/c25-22-10-4-1-7-16(22)13-19(20-14-26-23-11-5-2-8-17(20)23)21-15-27-24-12-6-3-9-18(21)24/h1-12,14-15,19,26-27H,13,25H2 |
| InChI | GDGIXKWOJJMLNP-UHFFFAOYSA-N |
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1 — 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine | 2 — 2-[2,2-Bis-(1H-indol-3-yl)-ethyl]-phenylamine