[2,4-dibromo-6-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H13N3O7Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H13N3O7Br2 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O)=O)=O |
| InChI | InChI=1S/C20H13Br2N3O7/c21-13-8-12(19(14(22)9-13)32-20(27)17-6-3-7-30-17)10-23-24-18(26)11-31-16-5-2-1-4-15(16)25(28)29/h1-10H,11H2,(H,24,26) |
| InChIK | KKRYLEJZHSKAKU-UHFFFAOYSA-N |
| TotalMolweight | 567.145 |
| Molweight | 567.145 |
| MonoisotopicMass | 564.912024 |
| CLogP | 3.9245 |
| CLogS | -6.781 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 348.88 |
| Relative PSA | 0.32556 |
| PolarSurfaceArea | 135.95 |
| Druglikeness | -2.5245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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