[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C24H15N2O4Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C24H15N2O4Cl3S |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O |
| InChI | InChI=1S/C24H15Cl3N2O4S/c25-15-7-10-19(18(26)11-15)32-13-21(30)29-28-12-14-5-8-16(9-6-14)33-24(31)23-22(27)17-3-1-2-4-20(17)34-23/h1-12H,13H2,(H,29,30) |
| InChIK | XJYNFTHYNRCWRT-UHFFFAOYSA-N |
| TotalMolweight | 533.818 |
| Molweight | 533.818 |
| MonoisotopicMass | 531.981809 |
| CLogP | 6.9462 |
| CLogS | -8.528 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 375.06 |
| Relative PSA | 0.23839 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.3832 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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