[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate
Formula:C18H11N4O6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate |
| MolecularFormula | C18H11N4O6Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc(Br)cnc1)=O)cc1)c1OC(c1ccco1)=O)=O |
| InChI | InChI=1S/C18H11BrN4O6/c19-13-7-12(9-20-10-13)17(24)22-21-8-11-3-4-15(14(6-11)23(26)27)29-18(25)16-2-1-5-28-16/h1-10H,(H,22,24) |
| InChIK | DZBSQMMGJQDMAW-UHFFFAOYSA-N |
| TotalMolweight | 459.211 |
| Molweight | 459.211 |
| MonoisotopicMass | 457.986197 |
| CLogP | 2.6235 |
| CLogS | -5.372 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 305.25 |
| Relative PSA | 0.37527 |
| PolarSurfaceArea | 139.61 |
| Druglikeness | -2.5873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate | 2 - [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate
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