(3S)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID: 51377539
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| Compound Synonyms | SCHEMBL20600322 |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-hydroxy-1,3-dihydroindol-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C8H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGZFJWQQBHYNNF-ZETCQYMHSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.932 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.057 |
| Compound Name | (3S)-3-hydroxy-1,3-dihydroindol-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5085601636363635 |
| Inchi | InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)/t7-/m0/s1 |
| Smiles | C1=CC=C2C(=C1)[C@@H](C(=O)N2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Prolifera (Plant) Rel Props:Source_db:cmaup_ingredients