4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate
Formula:C16H12N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C16H12N3O4 |
| Smiles | [O-]C(c1ccc(/C=N\NC(C(Nc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H13N3O4/c20-14(18-13-4-2-1-3-5-13)15(21)19-17-10-11-6-8-12(9-7-11)16(22)23/h1-10H,(H,18,20)(H,19,21)(H,22,23)/p-1 |
| InChIK | CLBIDRNKJPIFSA-UHFFFAOYSA-M |
| TotalMolweight | 310.288 |
| Molweight | 310.288 |
| MonoisotopicMass | 310.082782 |
| CLogP | -0.447 |
| CLogS | -3.538 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.48 |
| Relative PSA | 0.36372 |
| PolarSurfaceArea | 110.69 |
| Druglikeness | 3.7444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]benzoate
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