[4-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
Formula:C24H19N2O4BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate |
| MolecularFormula | C24H19N2O4BrCl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)Oc1ccc(/C=N\NC(c(cc2)ccc2Br)=O)cc1 |
| InChI | InChI=1S/C24H19BrCl2N2O4/c25-18-7-5-17(6-8-18)24(31)29-28-15-16-3-10-20(11-4-16)33-23(30)2-1-13-32-22-12-9-19(26)14-21(22)27/h3-12,14-15H,1-2,13H2,(H,29,31) |
| InChIK | BMDFXDZHGKMWAZ-UHFFFAOYSA-N |
| TotalMolweight | 550.235 |
| Molweight | 550.235 |
| MonoisotopicMass | 547.990523 |
| CLogP | 7.053 |
| CLogS | -7.817 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375.25 |
| Relative PSA | 0.18401 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | -4.1713 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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