[4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C20H14N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C20H14N3O4Br |
| Smiles | O=C(/C=C/c1ccco1)Oc(cc1)c(/C=N\NC(c2ccncc2)=O)cc1Br |
| InChI | InChI=1S/C20H14BrN3O4/c21-16-3-5-18(28-19(25)6-4-17-2-1-11-27-17)15(12-16)13-23-24-20(26)14-7-9-22-10-8-14/h1-13H,(H,24,26) |
| InChIK | LEVFHDPQYYKUTE-UHFFFAOYSA-N |
| TotalMolweight | 440.252 |
| Molweight | 440.252 |
| MonoisotopicMass | 439.016768 |
| CLogP | 3.8743 |
| CLogS | -5.282 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.08 |
| Relative PSA | 0.27308 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 0.013 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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