N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C20H12N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C20H12N3O4Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc(c2ccccc2cc2)c2o1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H12ClN3O4/c21-16-7-5-12(9-17(16)24(26)27)11-22-23-20(25)19-10-15-14-4-2-1-3-13(14)6-8-18(15)28-19/h1-11H,(H,23,25) |
| InChIK | HXOXHSDTLQZFIV-UHFFFAOYSA-N |
| TotalMolweight | 393.785 |
| Molweight | 393.785 |
| MonoisotopicMass | 393.051634 |
| CLogP | 4.586 |
| CLogS | -7.706 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.97 |
| Relative PSA | 0.28263 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.34555 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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