2-(1-methoxyindol-3-yl)-N-(4-nitrophenyl)acetamide
PubChem CID: 141490324
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| Compound Synonyms | CHEMBL4793112, 2-(1-methoxyindol-3-yl)-N-(4-nitrophenyl)acetamide |
|---|---|
| Topological Polar Surface Area | 89.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-(4-nitrophenyl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H15N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZIXTWMOPHMKGY-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.674 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.55 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-(4-nitrophenyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.106 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 325.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8135088000000006 |
| Inchi | InChI=1S/C17H15N3O4/c1-24-19-11-12(15-4-2-3-5-16(15)19)10-17(21)18-13-6-8-14(9-7-13)20(22)23/h2-9,11H,10H2,1H3,(H,18,21) |
| Smiles | CON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients