N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
Formula:C17H8N2OBrF5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline |
| MolecularFormula | C17H8N2OBrF5 |
| Smiles | Fc(c(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C17H8BrF5N2O/c18-9-3-1-8(2-4-9)11-6-5-10(26-11)7-24-25-17-15(22)13(20)12(19)14(21)16(17)23/h1-7,25H |
| InChIK | OZDSIHCEQOSVJS-UHFFFAOYSA-N |
| TotalMolweight | 431.158 |
| Molweight | 431.158 |
| MonoisotopicMass | 429.974014 |
| CLogP | 7.009 |
| CLogS | -7.013 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.07 |
| Relative PSA | 0.13781 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 1.2445 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
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