2-[2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C17H13N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C17H13N2O5Cl2 |
| Smiles | [O-]C(COc1c(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C17H14Cl2N2O5/c18-12-5-6-15(13(19)7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)/p-1 |
| InChIK | KLOHDDXLWDFSEY-UHFFFAOYSA-M |
| TotalMolweight | 396.205 |
| Molweight | 396.205 |
| MonoisotopicMass | 395.020152 |
| CLogP | 0.9725 |
| CLogS | -4.766 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.63 |
| Relative PSA | 0.28672 |
| PolarSurfaceArea | 100.05 |
| Druglikeness | 4.2862 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
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