N-[(Z)-anthracen-9-ylmethylideneamino]-2-chloro-5-iodobenzamide
Formula:C22H14N2OClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-chloro-5-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-chloro-5-iodobenzamide |
| MolecularFormula | C22H14N2OClI |
| Smiles | O=C(c(cc(cc1)I)c1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C22H14ClIN2O/c23-21-10-9-16(24)12-19(21)22(27)26-25-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13H,(H,26,27) |
| InChIK | CGFQSENOYLAKOY-UHFFFAOYSA-N |
| TotalMolweight | 484.719 |
| Molweight | 484.719 |
| MonoisotopicMass | 483.983938 |
| CLogP | 6.6335 |
| CLogS | -8.685 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.89 |
| Relative PSA | 0.12088 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.9074 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-chloro-5-iodobenzamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-chloro-5-iodobenzamide
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