N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide
Formula:C23H15N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(2,3-dichlorophenyl)oxamide |
| MolecularFormula | C23H15N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C23H15Cl2N3O2/c24-19-10-5-11-20(21(19)25)27-22(29)23(30)28-26-13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18/h1-13H,(H,27,29)(H,28,30) |
| InChIK | SMYMBQJLGJMGLA-UHFFFAOYSA-N |
| TotalMolweight | 436.297 |
| Molweight | 436.297 |
| MonoisotopicMass | 435.054131 |
| CLogP | 5.7447 |
| CLogS | -8.209 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 316.24 |
| Relative PSA | 0.19134 |
| 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 | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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