[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H14N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H14N2O5Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C20H14Cl2N2O5/c21-14-5-8-17(16(22)10-14)28-12-19(25)24-23-11-13-3-6-15(7-4-13)29-20(26)18-2-1-9-27-18/h1-11H,12H2,(H,24,25) |
| InChIK | CDOMDIGIJQNVLH-UHFFFAOYSA-N |
| TotalMolweight | 433.246 |
| Molweight | 433.246 |
| MonoisotopicMass | 432.027977 |
| CLogP | 4.6077 |
| CLogS | -6.125 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.79 |
| Relative PSA | 0.26086 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 4.3144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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