N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2-chlorophenyl)oxamide
Formula:C23H16N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2-chlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2-chlorophenyl)oxamide |
| MolecularFormula | C23H16N3O2Cl |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C23H16ClN3O2/c24-20-11-5-6-12-21(20)26-22(28)23(29)27-25-14-19-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)19/h1-14H,(H,26,28)(H,27,29) |
| InChIK | VHQWINQOSDOHDG-UHFFFAOYSA-N |
| TotalMolweight | 401.852 |
| Molweight | 401.852 |
| MonoisotopicMass | 401.093104 |
| CLogP | 5.1387 |
| CLogS | -7.473 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.82 |
| Relative PSA | 0.20115 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2-chlorophenyl)oxamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2-chlorophenyl)oxamide
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