4-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate
Formula:C18H12N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate |
| MolecularFormula | C18H12N3O4 |
| Smiles | [O-]C(c(cc1)ccc1-c1ccc(/C=N\NC(c2ccncc2)=O)o1)=O |
| InChI | InChI=1S/C18H13N3O4/c22-17(13-7-9-19-10-8-13)21-20-11-15-5-6-16(25-15)12-1-3-14(4-2-12)18(23)24/h1-11H,(H,21,22)(H,23,24)/p-1 |
| InChIK | MCTQWAFSBYZOPX-UHFFFAOYSA-M |
| TotalMolweight | 334.31 |
| Molweight | 334.31 |
| MonoisotopicMass | 334.082782 |
| CLogP | 0.5487 |
| CLogS | -4.399 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 260.48 |
| Relative PSA | 0.33941 |
| PolarSurfaceArea | 107.62 |
| Druglikeness | 6.506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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