4'-Bromoflavone
PubChem CID: 1686
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| Compound Synonyms | 4'-bromoflavone, 20525-20-6, 4'-Bromo-flavone, 4H-1-Benzopyran-4-one, 2-(4-bromophenyl)-, 2-(4-Bromophenyl)-4H-chromen-4-one, 2-(4-bromophenyl)chromen-4-one, 2-(4-Bromophenyl)-4H-1-benzopyran-4-one, 6TC8H54C8T, 4 inverted exclamation marka-Bromoflavone, 4H-1-Benzopyran-4-one,2-(4-bromophenyl)-, Flavone, 4'-bromo-, UNII-6TC8H54C8T, 4-Bromoflavone, 4kzu, CBMicro_039679, BROMOFLAVONE, 4'-, 4'-Bromo-2-phenylbenzopyran, SCHEMBL103839, 4'BF, CHEMBL294099, DTXSID60174519, URZUAHXELZUWFE-UHFFFAOYSA-N, BDBM150762, AKOS002389030, FB19237, 2-(4-Bromophenyl)-4H-chromen-4-one #, AC-13516, AS-86194, BIM-0039592.P001, HY-115772, CS-0255619, 2-(4-Bromophenyl)-4H-chromen-4-one (3n), G64532, Q27265495, 5973-70-6, A73 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14, P47199, Q64669, O95271, n.a., P15559, Q60795 |
| Iupac Name | 2-(4-bromophenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT588 |
| Xlogp | 4.2 |
| Molecular Formula | C15H9BrO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URZUAHXELZUWFE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -6.097 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.07 |
| Compound Name | 4'-Bromoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.979 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.979 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 301.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.239239577777778 |
| Inchi | InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H |
| Smiles | C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Br |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bruguiera Gymnorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pleiocarpa Pycnantha (Plant) Rel Props:Source_db:npass_chem_all