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Structure
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| Relationships |
Total Number of functionally related protein(s) :
10
Total Number of Articles : 5
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| PubChem |
2797272
|
| Molecular Formula |
C11H6F3N5O2 |
| SMILES |
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C(=C(C=N2)C#N)N |
| InChI |
InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2 |
| synonyms |
- 74990-43-5
- 5-AMINO-1-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBONITRILE
- 5-Amino-1-(2-nitro-4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile
- 5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
- [2-(5-Amino-4-Cyano-1h-Pyrazol-1-Yl)-5-(Trifluoromethyl)phenyl](Hydroxy)oxoammonium
- MFCD00205968
- SCHEMBL10619077
- DTXSID00383901
- CHSSXZWQMONVKB-UHFFFAOYSA-N
- CCG-47075
- AKOS005073094
- KC-0701
- SR-01000636722-1
- 5-amino-1-[2-nitro-4-(trifluoromethyl) phenyl]-1H-pyrazole-4-carbonitrile
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| Properties |
| Property |
Value |
| MW |
297.19 g/mol |
| HBD |
1 |
| HBA |
8 |
| Rotatable Bond Count |
1 |
| Exact Mass |
297.04735894 g/mol |
| Monoisotopic Mass |
297.04735894 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
457 |
| xlogp |
2.5 |
| Topological Polar Surface Area |
113 |
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