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Structure
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| Relationships |
Total Number of functionally related protein(s) :
86
Total Number of Articles : 205
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| PubChem |
5940264
|
| Molecular Formula |
C16H13BrO2 |
| SMILES |
C1C/C(=C\Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32 |
| InChI |
InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+ |
| synonyms |
- bromoenol lactone
- HELSS
- 6-Btnpo
- bromoenolactone
- 6-(Bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one
- (E)-6-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-Pyran-2-one
- 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one
- (E)-6-(Bromomethylene)-3-(1-naphthalenyl)tetrahydro-2H-pyran-2-one
- DTXSID001017361
- 2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (E)-
- (6E)-6-(bromomethylidene)-3-(naphthalen-1-yl)oxan-2-one
- 6E-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one
- DTXCID401475571
- 635-829-2
- byucsfwxcmtyoi-zrdibkrksa-n
- 88070-98-8
- BTNP
- BEL
- HELSS (Haloenol lactone suicide substrate, BEL, Bromoenol lactone)
- (6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
- CHEMBL6206
- BROMOENOLLACTONE
- (6E)-Bromoenol lactone
- SR-01000075707
- Haloenol lactone
- Y6MPQ7Z7VD
- Bromoenol lactone, (RS)-
- Lopac0_000150
- GTPL5149
- SCHEMBL2060001
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| Properties |
| Property |
Value |
| MW |
317.18 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
1 |
| Exact Mass |
316.00989 g/mol |
| Monoisotopic Mass |
316.00989 g/mol |
| Heavy Atom Count |
19 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
377 |
| xlogp |
4.2 |
| Topological Polar Surface Area |
26.3 |
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