(E)-1,1,1-trifluoro-4-(pyridin-2-ylamino)but-3-en-2-ol
Formula:C9H9N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-(pyridin-2-ylamino)but-3-en-2-ol is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-(pyridin-2-ylamino)but-3-en-2-ol |
| MolecularFormula | C9H9N2OF3 |
| Smiles | OC(C(F)(F)F)/C=C/Nc1ncccc1 |
| InChI | InChI=1S/C9H9F3N2O/c10-9(11,12)7(15)4-6-14-8-3-1-2-5-13-8/h1-7,15H,(H,13,14)/t7-/m1/s1 |
| InChIK | QDSXUIUWGNKOBN-SSDOTTSWSA-N |
| TotalMolweight | 218.177 |
| Molweight | 218.177 |
| MonoisotopicMass | 218.066697 |
| CLogP | 1.1883 |
| CLogS | -2.811 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 158.29 |
| Relative PSA | 0.22446 |
| PolarSurfaceArea | 45.15 |
| Druglikeness | -11.211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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