2,5-dichloro-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C14H11N3O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,5-dichloro-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 2,5-dichloro-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C14H11N3O2Cl2S |
| Smiles | O=C(CNC(c(cc(cc1)Cl)c1Cl)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H11Cl2N3O2S/c15-9-3-4-12(16)11(6-9)14(21)17-8-13(20)19-18-7-10-2-1-5-22-10/h1-7H,8H2,(H,17,21)(H,19,20) |
| InChIK | YAQNCPJMZGBMMG-UHFFFAOYSA-N |
| TotalMolweight | 356.232 |
| Molweight | 356.232 |
| MonoisotopicMass | 354.994901 |
| CLogP | 3.3639 |
| CLogS | -4.97 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.74 |
| Relative PSA | 0.31499 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 6.8791 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2,5-dichloro-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 2,5-dichloro-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
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