[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C26H19N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C26H19N2O4ClS |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c(cccc2)c2OCc(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C26H19ClN2O4S/c27-20-11-7-19(8-12-20)17-32-23-5-2-1-4-22(23)25(30)29-28-16-18-9-13-21(14-10-18)33-26(31)24-6-3-15-34-24/h1-16H,17H2,(H,29,30) |
| InChIK | KQXPZUQWFNJJBK-UHFFFAOYSA-N |
| TotalMolweight | 490.966 |
| Molweight | 490.966 |
| MonoisotopicMass | 490.075405 |
| CLogP | 6.4528 |
| CLogS | -7.278 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 369.38 |
| Relative PSA | 0.24205 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.8363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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