[(E)-[amino(phenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate
Formula:C16H14N3O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoate |
| MolecularFormula | C16H14N3O3F3 |
| Smiles | N/C(/c1ccccc1)=N/OC(CCN(C=CC=C1C(F)(F)F)C1=O)=O |
| InChI | InChI=1S/C16H14F3N3O3/c17-16(18,19)12-7-4-9-22(15(12)24)10-8-13(23)25-21-14(20)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H2,20,21) |
| InChIK | KZSLUBXFKXEKSI-UHFFFAOYSA-N |
| TotalMolweight | 353.299 |
| Molweight | 353.299 |
| MonoisotopicMass | 353.098726 |
| CLogP | 2.3246 |
| CLogS | -3.557 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.24 |
| Relative PSA | 0.26019 |
| PolarSurfaceArea | 84.99 |
| Druglikeness | -6.2243 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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