3-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C13H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C13H11N3O2 |
| Smiles | Oc1cccc(C(N/N=C\c2ccncc2)=O)c1 |
| InChI | InChI=1S/C13H11N3O2/c17-12-3-1-2-11(8-12)13(18)16-15-9-10-4-6-14-7-5-10/h1-9,17H,(H,16,18) |
| InChIK | IXTVTACLUJRZRX-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 1.855 |
| CLogS | -2.63 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 192.1 |
| Relative PSA | 0.31275 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.4204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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