N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C18H11N3O2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C18H11N3O2ClF3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1 |
| InChI | InChI=1S/C18H11ClF3N3O2/c19-15-3-1-12(18(20,21)22)9-14(15)16-4-2-13(27-16)10-24-25-17(26)11-5-7-23-8-6-11/h1-10H,(H,25,26) |
| InChIK | UIKGUTQLRCVPTC-UHFFFAOYSA-N |
| TotalMolweight | 393.751 |
| Molweight | 393.751 |
| MonoisotopicMass | 393.049188 |
| CLogP | 4.5939 |
| CLogS | -5.9 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.08 |
| Relative PSA | 0.21812 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -0.69633 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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