N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide
Formula:C15H12N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C15H12N4O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2ccncc2)=O)cccc1)=O |
| InChI | InChI=1S/C15H12N4O3/c20-15(13-7-10-16-11-8-13)18-17-9-3-5-12-4-1-2-6-14(12)19(21)22/h1-11H,(H,18,20) |
| InChIK | ZADZPMDXYSNLMR-UHFFFAOYSA-N |
| TotalMolweight | 296.285 |
| Molweight | 296.285 |
| MonoisotopicMass | 296.090941 |
| CLogP | 1.2974 |
| CLogS | -3.678 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 235.92 |
| Relative PSA | 0.32808 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.71953 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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