5-[[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
Formula:C19H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid |
| MolecularFormula | C19H15N3O5 |
| Smiles | OC(c1ccc(COc2ccc(/C=N\NC(c3cnccc3)=O)cc2)o1)=O |
| InChI | InChI=1S/C19H15N3O5/c23-18(14-2-1-9-20-11-14)22-21-10-13-3-5-15(6-4-13)26-12-16-7-8-17(27-16)19(24)25/h1-11H,12H2,(H,22,23)(H,24,25) |
| InChIK | XIFQFXOHDCUHQY-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 2.2766 |
| CLogS | -3.986 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.06 |
| Relative PSA | 0.3435 |
| PolarSurfaceArea | 114.02 |
| Druglikeness | 4.4873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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