N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
Formula:C15H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide |
| MolecularFormula | C15H14N4O3 |
| Smiles | Oc1cccc(/C=N\NC(C(NCc2ccncc2)=O)=O)c1 |
| InChI | InChI=1S/C15H14N4O3/c20-13-3-1-2-12(8-13)10-18-19-15(22)14(21)17-9-11-4-6-16-7-5-11/h1-8,10,20H,9H2,(H,17,21)(H,19,22) |
| InChIK | UNKBJYRXMKDWNA-UHFFFAOYSA-N |
| TotalMolweight | 298.301 |
| Molweight | 298.301 |
| MonoisotopicMass | 298.106591 |
| CLogP | 0.5067 |
| CLogS | -2.25 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.35981 |
| PolarSurfaceArea | 103.68 |
| Druglikeness | 4.0235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide | 2 - N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
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