[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C20H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C20H15N3O4 |
| Smiles | O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(c2ccncc2)=O)cc1 |
| InChI | InChI=1S/C20H15N3O4/c24-19(8-7-17-2-1-13-26-17)27-18-5-3-15(4-6-18)14-22-23-20(25)16-9-11-21-12-10-16/h1-14H,(H,23,25) |
| InChIK | KYVRBSXKINGRNS-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 3.1491 |
| CLogS | -4.448 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.45 |
| Relative PSA | 0.29065 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 1.803 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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