2-hydroxy-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C15H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C15H14N4O3 |
| Smiles | Oc(cccc1)c1C(NCC(N/N=C\c1cnccc1)=O)=O |
| InChI | InChI=1S/C15H14N4O3/c20-13-6-2-1-5-12(13)15(22)17-10-14(21)19-18-9-11-4-3-7-16-8-11/h1-9,20H,10H2,(H,17,22)(H,19,21) |
| InChIK | PSRCUXJXTBTNHB-UHFFFAOYSA-N |
| TotalMolweight | 298.301 |
| Molweight | 298.301 |
| MonoisotopicMass | 298.106591 |
| CLogP | 0.9387 |
| CLogS | -2.397 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.35981 |
| PolarSurfaceArea | 103.68 |
| Druglikeness | 5.3106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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