N-[(Z)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
Formula:C26H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide |
| MolecularFormula | C26H19N3O2 |
| Smiles | O=C(c1ccc(CN(c2c(c3ccc4)c4ccc2)C3=O)cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C26H19N3O2/c30-25(28-27-16-18-6-2-1-3-7-18)21-14-12-19(13-15-21)17-29-23-11-5-9-20-8-4-10-22(24(20)23)26(29)31/h1-16H,17H2,(H,28,30) |
| InChIK | CLJPDYMKWKWPJY-UHFFFAOYSA-N |
| TotalMolweight | 405.456 |
| Molweight | 405.456 |
| MonoisotopicMass | 405.147727 |
| CLogP | 5.2928 |
| CLogS | -7.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.66 |
| Relative PSA | 0.16986 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 6.4061 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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