[4-bromo-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C18H12N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C18H12N3O4Br |
| Smiles | O=C(c1ccco1)Oc(cc1)c(/C=N\NC(c2cnccc2)=O)cc1Br |
| InChI | InChI=1S/C18H12BrN3O4/c19-14-5-6-15(26-18(24)16-4-2-8-25-16)13(9-14)11-21-22-17(23)12-3-1-7-20-10-12/h1-11H,(H,22,23) |
| InChIK | XQCQJSIJXWZSSU-UHFFFAOYSA-N |
| TotalMolweight | 414.214 |
| Molweight | 414.214 |
| MonoisotopicMass | 413.001118 |
| CLogP | 3.5451 |
| CLogS | -4.912 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 281.58 |
| Relative PSA | 0.29878 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 2.4127 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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