N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Formula:C20H14N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide |
| MolecularFormula | C20H14N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(c2cccc3cccc4c23)C4=O)=O)cc1)=O |
| InChI | InChI=1S/C20H14N4O4/c25-18(22-21-11-13-7-9-15(10-8-13)24(27)28)12-23-17-6-2-4-14-3-1-5-16(19(14)17)20(23)26/h1-11H,12H2,(H,22,25) |
| InChIK | PBQUSFKXDBSWBT-UHFFFAOYSA-N |
| TotalMolweight | 374.355 |
| Molweight | 374.355 |
| MonoisotopicMass | 374.101506 |
| CLogP | 2.598 |
| CLogS | -5.951 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 273.57 |
| Relative PSA | 0.30347 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | 1.3557 |
| 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 | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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