Methyl 2-[(2-indolin-3-ylacetyl)amino]benzoate
PubChem CID: 155924431
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| Compound Synonyms | CHEMBL4782484, methyl 2-[(2-indolin-3-ylacetyl)amino]benzoate |
|---|---|
| Topological Polar Surface Area | 67.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H18N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHJOHDRWJUPEDL-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.386 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.021 |
| Compound Name | Methyl 2-[(2-indolin-3-ylacetyl)amino]benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.132 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.659875556521739 |
| Inchi | InChI=1S/C18H18N2O3/c1-23-18(22)14-7-3-5-9-16(14)20-17(21)10-12-11-19-15-8-4-2-6-13(12)15/h2-9,12,19H,10-11H2,1H3,(H,20,21) |
| Smiles | COC(=O)C1=CC=CC=C1NC(=O)CC2CNC3=CC=CC=C23 |
| 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