2-bromo-N-[3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
Formula:C15H14N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide |
| MolecularFormula | C15H14N3O3Br |
| Smiles | O=C(CCNC(c(cccc1)c1Br)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H14BrN3O3/c16-13-6-2-1-5-12(13)15(21)17-8-7-14(20)19-18-10-11-4-3-9-22-11/h1-6,9-10H,7-8H2,(H,17,21)(H,19,20) |
| InChIK | MIGCZUACYVYXRW-UHFFFAOYSA-N |
| TotalMolweight | 364.198 |
| Molweight | 364.198 |
| MonoisotopicMass | 363.021853 |
| CLogP | 2.6536 |
| CLogS | -4.274 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.04 |
| Relative PSA | 0.29606 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.4523 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-bromo-N-[3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide | 2 - 2-bromo-N-[3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
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