[2,4-dibromo-6-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C20H13N2O3Br2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C20H13N2O3Br2FS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O |
| InChI | InChI=1S/C20H13Br2FN2O3S/c21-14-7-13(11-24-25-18(26)10-16-5-2-6-29-16)19(17(22)9-14)28-20(27)12-3-1-4-15(23)8-12/h1-9,11H,10H2,(H,25,26) |
| InChIK | DXYHAJMPAUVCMH-UHFFFAOYSA-N |
| TotalMolweight | 540.206 |
| Molweight | 540.206 |
| MonoisotopicMass | 537.899763 |
| CLogP | 6.048 |
| CLogS | -7.148 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.81 |
| Relative PSA | 0.24224 |
| PolarSurfaceArea | 96 |
| Druglikeness | 2.8263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [2,4-dibromo-6-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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