[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H15N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H15N2O4Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C20H15BrN2O4/c21-16-8-9-17(27-20(25)18-7-4-10-26-18)15(12-16)13-22-23-19(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24) |
| InChIK | POWCCMXIWGOQBU-UHFFFAOYSA-N |
| TotalMolweight | 427.253 |
| Molweight | 427.253 |
| MonoisotopicMass | 426.021519 |
| CLogP | 4.5441 |
| CLogS | -5.672 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.58 |
| Relative PSA | 0.24668 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.5104 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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