N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C25H22N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C25H22N4O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C25H22N4O4/c30-25(24-15-21-20-7-3-2-6-17(20)8-11-23(21)33-24)27-26-16-18-14-19(29(31)32)9-10-22(18)28-12-4-1-5-13-28/h2-3,6-11,14-16H,1,4-5,12-13H2,(H,27,30) |
| InChIK | GQWGGPSBOKCDDX-UHFFFAOYSA-N |
| TotalMolweight | 442.474 |
| Molweight | 442.474 |
| MonoisotopicMass | 442.164106 |
| CLogP | 4.813 |
| CLogS | -7.962 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 335.15 |
| Relative PSA | 0.2509 |
| PolarSurfaceArea | 103.66 |
| Druglikeness | -0.51612 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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