N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C27H19N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C27H19N3O5 |
| Smiles | [O-][N+](c1ccc(COc2cc(/C=N\NC(c3cc(c4ccccc4cc4)c4o3)=O)ccc2)cc1)=O |
| InChI | InChI=1S/C27H19N3O5/c31-27(26-15-24-23-7-2-1-5-20(23)10-13-25(24)35-26)29-28-16-19-4-3-6-22(14-19)34-17-18-8-11-21(12-9-18)30(32)33/h1-16H,17H2,(H,29,31) |
| InChIK | BECWSRZVOZPLTO-UHFFFAOYSA-N |
| TotalMolweight | 465.464 |
| Molweight | 465.464 |
| MonoisotopicMass | 465.132472 |
| CLogP | 5.3281 |
| CLogS | -8.311 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.07 |
| Relative PSA | 0.25644 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.575 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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