4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C18H12N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C18H12N3O4Cl |
| Smiles | OC(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) |
| InChIK | LTVRHJXFPMEQHM-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 | 0.61538 |
| 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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