[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C19H13N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C19H13N2O3BrS |
| Smiles | O=C(c1cccs1)Oc1ccc(/C=N\NC(c(cccc2)c2Br)=O)cc1 |
| InChI | InChI=1S/C19H13BrN2O3S/c20-16-5-2-1-4-15(16)18(23)22-21-12-13-7-9-14(10-8-13)25-19(24)17-6-3-11-26-17/h1-12H,(H,22,23) |
| InChIK | GOKZYHROIHWCJE-UHFFFAOYSA-N |
| TotalMolweight | 429.293 |
| Molweight | 429.293 |
| MonoisotopicMass | 427.983024 |
| CLogP | 5.2239 |
| CLogS | -6.035 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.07 |
| Relative PSA | 0.27471 |
| PolarSurfaceArea | 96 |
| Druglikeness | 4.1513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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