N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-chlorophenyl)acetamide
Formula:C23H17N2OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-chlorophenyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-chlorophenyl)acetamide |
| MolecularFormula | C23H17N2OCl |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H17ClN2O/c24-19-11-9-16(10-12-19)13-23(27)26-25-15-22-20-7-3-1-5-17(20)14-18-6-2-4-8-21(18)22/h1-12,14-15H,13H2,(H,26,27) |
| InChIK | GJHAWJHMFKMIQJ-UHFFFAOYSA-N |
| TotalMolweight | 372.854 |
| Molweight | 372.854 |
| MonoisotopicMass | 372.10294 |
| CLogP | 6.1945 |
| CLogS | -7.634 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.37 |
| Relative PSA | 0.12619 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.3905 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-chlorophenyl)acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-chlorophenyl)acetamide
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