3a,7a-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID: 23016507
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| Compound Synonyms | SCHEMBL14274241 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3a,7a-dihydro-3H-1,3-benzoxazol-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C7H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATTNBXYKQKMCNP-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -1.63 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.6 |
| Compound Name | 3a,7a-dihydro-3H-1,3-benzoxazol-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 137.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 137.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4021556 |
| Inchi | InChI=1S/C7H7NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-6H,(H,8,9) |
| Smiles | C1=CC2C(C=C1)OC(=O)N2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthus Ilicifolius (Plant) Rel Props:Source_db:cmaup_ingredients