2-[(Z)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoate
Formula:C19H18N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C19H18N3O4 |
| Smiles | [O-]C(c1c(/C=N\NC(CCCNC(c2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C19H19N3O4/c23-17(11-6-12-20-18(24)14-7-2-1-3-8-14)22-21-13-15-9-4-5-10-16(15)19(25)26/h1-5,7-10,13H,6,11-12H2,(H,20,24)(H,22,23)(H,25,26)/p-1 |
| InChIK | RIXKAANIWYZIHM-UHFFFAOYSA-M |
| TotalMolweight | 352.369 |
| Molweight | 352.369 |
| MonoisotopicMass | 352.129732 |
| CLogP | 0.6032 |
| CLogS | -4.041 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 282.76 |
| Relative PSA | 0.31062 |
| PolarSurfaceArea | 110.69 |
| Druglikeness | 2.9519 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoate | 2 - 2-[(Z)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoate
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