[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H13N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H13N3O4Cl2S |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C20H13Cl2N3O4S/c21-14-3-1-4-15(17(14)22)24-18(26)19(27)25-23-11-12-6-8-13(9-7-12)29-20(28)16-5-2-10-30-16/h1-11H,(H,24,26)(H,25,27) |
| InChIK | BJRJPBHGLUGHOO-UHFFFAOYSA-N |
| TotalMolweight | 462.312 |
| Molweight | 462.312 |
| MonoisotopicMass | 461.000381 |
| CLogP | 4.653 |
| CLogS | -6.477 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 330.49 |
| Relative PSA | 0.31441 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 5.2228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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