N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C20H14N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C20H14N2O4Cl2 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H14Cl2N2O4/c21-15-4-1-12(9-16(15)22)17-6-3-14(28-17)11-23-24-20(25)13-2-5-18-19(10-13)27-8-7-26-18/h1-6,9-11H,7-8H2,(H,24,25) |
| InChIK | XOAVAEDGTWDDHY-UHFFFAOYSA-N |
| TotalMolweight | 417.247 |
| Molweight | 417.247 |
| MonoisotopicMass | 416.033062 |
| CLogP | 5.3313 |
| CLogS | -6.835 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.3 |
| Relative PSA | 0.23272 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | -0.59822 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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