[3-[2-(2-Chloroanilino)-2-oxo-ethyl]indol-1-yl] acetate
PubChem CID: 141490309
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| Compound Synonyms | CHEMBL4778173, [3-[2-(2-chloroanilino)-2-oxo-ethyl]indol-1-yl] acetate |
|---|---|
| Topological Polar Surface Area | 60.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H15ClN2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFRXFPATMIQQRU-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.239 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.202 |
| Compound Name | [3-[2-(2-Chloroanilino)-2-oxo-ethyl]indol-1-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.077 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6870484 |
| Inchi | InChI=1S/C18H15ClN2O3/c1-12(22)24-21-11-13(14-6-2-5-9-17(14)21)10-18(23)20-16-8-4-3-7-15(16)19/h2-9,11H,10H2,1H3,(H,20,23) |
| Smiles | CC(=O)ON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| 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