[3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C24H14N3O4Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C24H14N3O4Cl3S |
| Smiles | O=C(C(N/N=C\c1cc(OC(c(sc2c3cccc2)c3Cl)=O)ccc1)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C24H14Cl3N3O4S/c25-14-8-9-17(26)18(11-14)29-22(31)23(32)30-28-12-13-4-3-5-15(10-13)34-24(33)21-20(27)16-6-1-2-7-19(16)35-21/h1-12H,(H,29,31)(H,30,32) |
| InChIK | QTGLWLHZTUQPPP-UHFFFAOYSA-N |
| TotalMolweight | 546.817 |
| Molweight | 546.817 |
| MonoisotopicMass | 544.977058 |
| CLogP | 6.3136 |
| CLogS | -8.552 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 380.51 |
| Relative PSA | 0.27308 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 4.648 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide; 3-halo-enone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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