(2S)-2-[(4-chlorophenyl)methyl]-2-hydroxy-1-benzofuran-3-one
PubChem CID: 101077897
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-[(4-chlorophenyl)methyl]-2-hydroxy-1-benzofuran-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H11ClO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGHMQSOFJHQKCW-HNNXBMFYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.692 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.437 |
| Compound Name | (2S)-2-[(4-chlorophenyl)methyl]-2-hydroxy-1-benzofuran-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9764270210526313 |
| Inchi | InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-15(18)14(17)12-3-1-2-4-13(12)19-15/h1-8,18H,9H2/t15-/m0/s1 |
| Smiles | C1=CC=C2C(=C1)C(=O)[C@@](O2)(CC3=CC=C(C=C3)Cl)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients