N-[(Z)-[4-(4-fluorophenoxy)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide
Formula:C19H13N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(4-fluorophenoxy)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(4-fluorophenoxy)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C19H13N4O4F |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cnccc1)=O)cc1)c1Oc(cc1)ccc1F)=O |
| InChI | InChI=1S/C19H13FN4O4/c20-15-4-6-16(7-5-15)28-18-8-3-13(10-17(18)24(26)27)11-22-23-19(25)14-2-1-9-21-12-14/h1-12H,(H,23,25) |
| InChIK | CAERMDLXTOCNAS-UHFFFAOYSA-N |
| TotalMolweight | 380.334 |
| Molweight | 380.334 |
| MonoisotopicMass | 380.092084 |
| CLogP | 2.7755 |
| CLogS | -5.997 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.53 |
| Relative PSA | 0.3061 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -2.1995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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