N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C24H17N3O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C24H17N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(C2Oc3cc4ccccc4cc3OC2)=O)o1)=O |
| InChI | InChI=1S/C24H17N3O6/c28-24(23-14-31-21-11-16-3-1-2-4-17(16)12-22(21)33-23)26-25-13-19-9-10-20(32-19)15-5-7-18(8-6-15)27(29)30/h1-13,23H,14H2,(H,26,28)/t23-/m0/s1 |
| InChIK | KSPSMRSREYHTIV-QHCPKHFHSA-N |
| TotalMolweight | 443.414 |
| Molweight | 443.414 |
| MonoisotopicMass | 443.111737 |
| CLogP | 3.9554 |
| CLogS | -7.269 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 327.47 |
| Relative PSA | 0.30702 |
| PolarSurfaceArea | 118.88 |
| Druglikeness | 1.951 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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