4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate
Formula:C18H11N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate |
| MolecularFormula | C18H11N3O4Cl |
| Smiles | [O-]C(c(cc1)cc(-c2ccc(/C=N\NC(c3ccncc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C18H12ClN3O4/c19-15-3-1-12(18(24)25)9-14(15)16-4-2-13(26-16)10-21-22-17(23)11-5-7-20-8-6-11/h1-10H,(H,22,23)(H,24,25)/p-1 |
| InChIK | LTVRHJXFPMEQHM-UHFFFAOYSA-M |
| TotalMolweight | 368.755 |
| Molweight | 368.755 |
| MonoisotopicMass | 368.043809 |
| CLogP | 1.1547 |
| CLogS | -5.135 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.9 |
| Relative PSA | 0.32044 |
| PolarSurfaceArea | 107.62 |
| Druglikeness | 6.538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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