N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Formula:C30H22N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C30H22N4O3 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C30H22N4O3/c35-28(32-22-12-2-1-3-13-22)25-16-8-9-17-27(25)33-29(36)30(37)34-31-19-26-23-14-6-4-10-20(23)18-21-11-5-7-15-24(21)26/h1-19H,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | MMQYOKSLVQGVFM-UHFFFAOYSA-N |
| TotalMolweight | 486.53 |
| Molweight | 486.53 |
| MonoisotopicMass | 486.169191 |
| CLogP | 5.6802 |
| CLogS | -8.249 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 374.37 |
| Relative PSA | 0.22707 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 3.7478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 8 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
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