N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline
Formula:C17H10N2OBrCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline |
| MolecularFormula | C17H10N2OBrCl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C17H10BrCl3N2O/c18-11-3-1-10(2-4-11)16-6-5-13(24-16)9-22-23-17-14(20)7-12(19)8-15(17)21/h1-9,23H |
| InChIK | FGACDBQRUPESHX-UHFFFAOYSA-N |
| TotalMolweight | 444.542 |
| Molweight | 444.542 |
| MonoisotopicMass | 441.904205 |
| CLogP | 8.323 |
| CLogS | -7.651 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.58 |
| Relative PSA | 0.13076 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 2.6086 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline | 2 - N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline
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