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Structure
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| Relationships |
Total Number of functionally related protein(s) :
86
Total Number of Articles : 103
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| PubChem |
74989
|
| Molecular Formula |
C22H19ClO3 |
| SMILES |
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O |
| InChI |
InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2 |
| synonyms |
- ATOVAQUONE
- 95233-18-4
- Mepron
- Wellvone
- Acuvel
- cis-Atovaquone
- Atavaquone
- 94015-53-9
- 566C80
- 137732-39-9
- Mepron (antipneumocystic)
- 566C
- BW 566C
- 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
- 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone
- 2-(TRANS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHALENEDIONE
- 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone
- Atovaquone (Atavaquone)
- F1W7QUV0KI
- NSC-759582
- Y883P1Z2LT
- CIS-ATOVAQUONE (RACEMIC)
- DTXSID7022629
- 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone
- 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione
- CHEBI:575568
- 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
- trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
- NCGC00016961-01
- Atovaquone 100 microg/mL in Acetonitrile
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| Properties |
| Property |
Value |
| MW |
366.8 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
366.1022722 g/mol |
| Monoisotopic Mass |
366.1022722 g/mol |
| Heavy Atom Count |
26 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
595 |
| xlogp |
5.2 |
| Topological Polar Surface Area |
54.4 |
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