N-[(Z)-anthracen-9-ylmethylideneamino]-2-(azepan-1-yl)-2-oxoacetamide
Formula:C23H23N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(azepan-1-yl)-2-oxoacetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(azepan-1-yl)-2-oxoacetamide |
| MolecularFormula | C23H23N3O2 |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H23N3O2/c27-22(23(28)26-13-7-1-2-8-14-26)25-24-16-21-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)21/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,25,27) |
| InChIK | GFHYKDUAYPVNKS-UHFFFAOYSA-N |
| TotalMolweight | 373.455 |
| Molweight | 373.455 |
| MonoisotopicMass | 373.179027 |
| CLogP | 4.5655 |
| CLogS | -6.094 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.54 |
| Relative PSA | 0.17919 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 1.0505 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(azepan-1-yl)-2-oxoacetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(azepan-1-yl)-2-oxoacetamide
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