Methyl 2-[[2-(1-hydroxyindol-3-yl)acetyl]amino]benzoate
PubChem CID: 155925303
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| Compound Synonyms | CHEMBL4779160, methyl 2-[[2-(1-hydroxyindol-3-yl)acetyl]amino]benzoate |
|---|---|
| Topological Polar Surface Area | 80.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[[2-(1-hydroxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H16N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UHDBDJKUPVPTLF-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.355 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.362 |
| Compound Name | Methyl 2-[[2-(1-hydroxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.111 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0182832 |
| Inchi | InChI=1S/C18H16N2O4/c1-24-18(22)14-7-2-4-8-15(14)19-17(21)10-12-11-20(23)16-9-5-3-6-13(12)16/h2-9,11,23H,10H2,1H3,(H,19,21) |
| Smiles | COC(=O)C1=CC=CC=C1NC(=O)CC2=CN(C3=CC=CC=C32)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