2-[3-[(Z)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenoxy]acetate
Formula:C19H17N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[3-[(Z)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[3-[(Z)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C19H17N2O5Cl2 |
| Smiles | [O-]C(COc1cccc(/C=N\NC(CCCOc(ccc(Cl)c2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C19H18Cl2N2O5/c20-14-6-7-17(16(21)10-14)27-8-2-5-18(24)23-22-11-13-3-1-4-15(9-13)28-12-19(25)26/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,23,24)(H,25,26)/p-1 |
| InChIK | KHTUFZBZMWZRJY-UHFFFAOYSA-M |
| TotalMolweight | 424.259 |
| Molweight | 424.259 |
| MonoisotopicMass | 423.051452 |
| CLogP | 1.8813 |
| CLogS | -5.306 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.15 |
| Relative PSA | 0.26192 |
| PolarSurfaceArea | 100.05 |
| Druglikeness | 0.39333 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[3-[(Z)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenoxy]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off