| MolName | [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate |
| MolecularFormula | C25H21N2O5Cl3 |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(CCCOc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C25H21Cl3N2O5/c26-18-5-10-20(11-6-18)34-16-24(31)30-29-15-17-3-8-21(9-4-17)35-25(32)2-1-13-33-23-12-7-19(27)14-22(23)28/h3-12,14-15H,1-2,13,16H2,(H,30,31) |
| InChIK | UAADTFDPBTTZPD-UHFFFAOYSA-N |
| TotalMolweight | 535.81 |
| Molweight | 535.81 |
| MonoisotopicMass | 534.051604 |
| CLogP | 6.5087 |
| CLogS | -7.499 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 395.8 |
| Relative PSA | 0.19972 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | -2.1939 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate | 2 - [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate