N-[(Z)-[9-[(Z)-(benzoylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide
Formula:C28H20N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[9-[(Z)-(benzoylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[9-[(Z)-(benzoylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide |
| MolecularFormula | C28H20N6O2 |
| Smiles | O=C(c1ccccc1)N/N=C\c1nc2c3nc(/C=N\NC(c4ccccc4)=O)ccc3ccc2cc1 |
| InChI | InChI=1S/C28H20N6O2/c35-27(21-7-3-1-4-8-21)33-29-17-23-15-13-19-11-12-20-14-16-24(32-26(20)25(19)31-23)18-30-34-28(36)22-9-5-2-6-10-22/h1-18H,(H,33,35)(H,34,36) |
| InChIK | DXMXZRKTUBCQLW-UHFFFAOYSA-N |
| TotalMolweight | 472.507 |
| Molweight | 472.507 |
| MonoisotopicMass | 472.164774 |
| CLogP | 5.4836 |
| CLogS | -7.286 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 367.44 |
| Relative PSA | 0.25572 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 20 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[9-[(Z)-(benzoylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide | 2 - N-[(Z)-[9-[(Z)-(benzoylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]benzamide
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