N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
Formula:C26H17N3O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide |
| MolecularFormula | C26H17N3O2F2 |
| Smiles | O=C(c1ccc(CN(c2cccc3cccc4c23)C4=O)cc1)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C26H17F2N3O2/c27-21-7-3-8-22(28)20(21)14-29-30-25(32)18-12-10-16(11-13-18)15-31-23-9-2-5-17-4-1-6-19(24(17)23)26(31)33/h1-14H,15H2,(H,30,32) |
| InChIK | OLAYSPVTEHLMPF-UHFFFAOYSA-N |
| TotalMolweight | 441.436 |
| Molweight | 441.436 |
| MonoisotopicMass | 441.128883 |
| CLogP | 5.4944 |
| CLogS | -7.68 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.36 |
| Relative PSA | 0.16317 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.0661 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide | 2 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
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