N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C24H15N2O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C24H15N2O4Cl3 |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C24H15Cl3N2O4/c25-17-10-19(27)18(26)9-16(17)20-6-5-15(32-20)11-28-29-24(30)23-12-31-21-7-13-3-1-2-4-14(13)8-22(21)33-23/h1-11,23H,12H2,(H,29,30)/t23-/m0/s1 |
| InChIK | JRCIGFYNHDOGLA-QHCPKHFHSA-N |
| TotalMolweight | 501.752 |
| Molweight | 501.752 |
| MonoisotopicMass | 500.009739 |
| CLogP | 6.695 |
| CLogS | -9.017 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.06 |
| Relative PSA | 0.20031 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 7.0252 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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