6-[2-(2,2,2-trifluoroacetyl)hydrazinyl]pyridine-3-carboxylic acid
Formula:C8H6N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[2-(2,2,2-trifluoroacetyl)hydrazinyl]pyridine-3-carboxylic acid is a drug-like molecule.
| MolName | 6-[2-(2,2,2-trifluoroacetyl)hydrazinyl]pyridine-3-carboxylic acid |
| MolecularFormula | C8H6N3O3F3 |
| Smiles | OC(c(cc1)cnc1NNC(C(F)(F)F)=O)=O |
| InChI | InChI=1S/C8H6F3N3O3/c9-8(10,11)7(17)14-13-5-2-1-4(3-12-5)6(15)16/h1-3H,(H,12,13)(H,14,17)(H,15,16) |
| InChIK | QBHBUBYFACXPQY-UHFFFAOYSA-N |
| TotalMolweight | 249.148 |
| Molweight | 249.148 |
| MonoisotopicMass | 249.036126 |
| CLogP | 1.133 |
| CLogS | -2.051 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 166.25 |
| Relative PSA | 0.43952 |
| PolarSurfaceArea | 91.32 |
| Druglikeness | -25.88 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[2-(2,2,2-trifluoroacetyl)hydrazinyl]pyridine-3-carboxylic acid | 2 - 6-[2-(2,2,2-trifluoroacetyl)hydrazinyl]pyridine-3-carboxylic acid
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