2-(2-Benzoylphenyl)-4h-3,1-benzoxazinone
PubChem CID: 318588
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NSC255313, SCHEMBL1478089, AKOS024334370, NSC-255313, 2-(2-benzoylphenyl)-4h-3,1-benzoxazinone |
|---|---|
| Topological Polar Surface Area | 55.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-benzoylphenyl)-3,1-benzoxazin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C21H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCUBTFGDURWEFR-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.45 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.721 |
| Compound Name | 2-(2-Benzoylphenyl)-4h-3,1-benzoxazinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 327.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H13NO3/c23-19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)20-22-18-13-7-6-12-17(18)21(24)25-20/h1-13H |
| Smiles | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Platycodon Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients