(Z,4Z)-4-(benzoylhydrazinylidene)-2,3-dichlorobut-2-enoic acid
Formula:C11H8N2O3Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(Z,4Z)-4-(benzoylhydrazinylidene)-2,3-dichlorobut-2-enoic acid is a drug-like molecule.
| MolName | (Z,4Z)-4-(benzoylhydrazinylidene)-2,3-dichlorobut-2-enoic acid |
| MolecularFormula | C11H8N2O3Cl2 |
| Smiles | OC(/C(/Cl)=C(\C=N/NC(c1ccccc1)=O)/Cl)=O |
| InChI | InChI=1S/C11H8Cl2N2O3/c12-8(9(13)11(17)18)6-14-15-10(16)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,17,18) |
| InChIK | DYVXDSBXJRULIT-UHFFFAOYSA-N |
| TotalMolweight | 287.102 |
| Molweight | 287.102 |
| MonoisotopicMass | 285.991197 |
| CLogP | 1.7504 |
| CLogS | -3.642 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 205.09 |
| Relative PSA | 0.30304 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 1.8338 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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