4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate
Formula:C14H10N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C14H10N3O3 |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2cnccc2)=O)cc1)=O |
| InChI | InChI=1S/C14H11N3O3/c18-13(12-2-1-7-15-9-12)17-16-8-10-3-5-11(6-4-10)14(19)20/h1-9H,(H,17,18)(H,19,20)/p-1 |
| InChIK | NURIVHKPZZQVRB-UHFFFAOYSA-M |
| TotalMolweight | 268.251 |
| Molweight | 268.251 |
| MonoisotopicMass | 268.072217 |
| CLogP | -0.3902 |
| CLogS | -2.939 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 211.03 |
| Relative PSA | 0.35208 |
| PolarSurfaceArea | 94.48 |
| Druglikeness | 4.4358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate | 2 - 4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]benzoate
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