[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C22H15N2O4Cl2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C22H15N2O4Cl2I |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C22H15Cl2IN2O4/c23-15-7-10-20(18(24)11-15)30-13-21(28)27-26-12-14-5-8-16(9-6-14)31-22(29)17-3-1-2-4-19(17)25/h1-12H,13H2,(H,27,28) |
| InChIK | RGDCUUBMHZIDQJ-UHFFFAOYSA-N |
| TotalMolweight | 569.177 |
| Molweight | 569.177 |
| MonoisotopicMass | 567.94536 |
| CLogP | 5.8561 |
| CLogS | -7.459 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.38 |
| Relative PSA | 0.1943 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.4711 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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