N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-nitrophenyl)oxamide
Formula:C23H16N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-nitrophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-nitrophenyl)oxamide |
| MolecularFormula | C23H16N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1NC(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)=O)=O |
| InChI | InChI=1S/C23H16N4O4/c28-22(25-17-9-11-18(12-10-17)27(30)31)23(29)26-24-14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-14H,(H,25,28)(H,26,29) |
| InChIK | KQMBFKABPXMICW-UHFFFAOYSA-N |
| TotalMolweight | 412.404 |
| Molweight | 412.404 |
| MonoisotopicMass | 412.117156 |
| CLogP | 3.6111 |
| CLogS | -7.197 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 309.07 |
| Relative PSA | 0.29421 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.4058 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-nitrophenyl)oxamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(4-nitrophenyl)oxamide
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