N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C29H20N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C29H20N4O4 |
| Smiles | [O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=N\NC(c3cc(c4ccccc4cc4)c4o3)=O)c2)cc1)=O |
| InChI | InChI=1S/C29H20N4O4/c34-29(28-15-25-23-6-2-1-5-20(23)11-14-27(25)37-28)31-30-16-21-18-32(26-8-4-3-7-24(21)26)17-19-9-12-22(13-10-19)33(35)36/h1-16,18H,17H2,(H,31,34) |
| InChIK | OZKRQEMZZJMMBY-UHFFFAOYSA-N |
| TotalMolweight | 488.502 |
| Molweight | 488.502 |
| MonoisotopicMass | 488.148456 |
| CLogP | 5.5097 |
| CLogS | -7.948 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 366.87 |
| Relative PSA | 0.23826 |
| PolarSurfaceArea | 105.35 |
| Druglikeness | 1.1757 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide | 2 - N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
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