5-chloro-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C13H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 5-chloro-2-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C13H10N3O2Cl |
| Smiles | Oc(ccc(Cl)c1)c1C(N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C13H10ClN3O2/c14-10-1-2-12(18)11(7-10)13(19)17-16-8-9-3-5-15-6-4-9/h1-8,18H,(H,17,19) |
| InChIK | CZNZFGQISMBKPE-UHFFFAOYSA-N |
| TotalMolweight | 275.694 |
| Molweight | 275.694 |
| MonoisotopicMass | 275.046154 |
| CLogP | 2.461 |
| CLogS | -3.366 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.52 |
| Relative PSA | 0.28951 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.4298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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