4-chloro-2-[5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C18H12N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-chloro-2-[5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-chloro-2-[5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C18H12N3O4Cl |
| Smiles | OC(c(ccc(Cl)c1)c1-c1ccc(/C=N\NC(c2cnccc2)=O)o1)=O |
| InChI | InChI=1S/C18H12ClN3O4/c19-12-3-5-14(18(24)25)15(8-12)16-6-4-13(26-16)10-21-22-17(23)11-2-1-7-20-9-11/h1-10H,(H,22,23)(H,24,25) |
| InChIK | WHLXVQCSZNWJSV-UHFFFAOYSA-N |
| TotalMolweight | 369.763 |
| Molweight | 369.763 |
| MonoisotopicMass | 369.051634 |
| CLogP | 3.2307 |
| CLogS | -5.135 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 274.72 |
| Relative PSA | 0.31752 |
| PolarSurfaceArea | 104.79 |
| Druglikeness | 6.3438 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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