N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C18H12N3O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H12N3O2F3 |
| Smiles | O=C(c1cnccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C18H12F3N3O2/c19-18(20,21)14-5-1-3-12(9-14)16-7-6-15(26-16)11-23-24-17(25)13-4-2-8-22-10-13/h1-11H,(H,24,25) |
| InChIK | ITIGQCKNYZDLNK-UHFFFAOYSA-N |
| TotalMolweight | 359.306 |
| Molweight | 359.306 |
| MonoisotopicMass | 359.088161 |
| CLogP | 3.9879 |
| CLogS | -5.164 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.66 |
| Relative PSA | 0.23082 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.72167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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