[2,4-dibromo-6-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H14N2O5Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H14N2O5Br2 |
| Smiles | O[C@H](C(N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O)=O)c1ccccc1 |
| InChI | InChI=1S/C20H14Br2N2O5/c21-14-9-13(11-23-24-19(26)17(25)12-5-2-1-3-6-12)18(15(22)10-14)29-20(27)16-7-4-8-28-16/h1-11,17,25H,(H,24,26)/t17-/m0/s1 |
| InChIK | KJRVGDSBBIGQCY-KRWDZBQOSA-N |
| TotalMolweight | 522.148 |
| Molweight | 522.148 |
| MonoisotopicMass | 519.926945 |
| CLogP | 4.1992 |
| CLogS | -5.958 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.3 |
| Relative PSA | 0.26931 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 3.3811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off