N-[(Z)-anthracen-9-ylmethylideneamino]-2,2-diphenoxyacetamide
Formula:C29H22N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2,2-diphenoxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C29H22N2O3 |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C29H22N2O3/c32-28(29(33-23-13-3-1-4-14-23)34-24-15-5-2-6-16-24)31-30-20-27-25-17-9-7-11-21(25)19-22-12-8-10-18-26(22)27/h1-20,29H,(H,31,32) |
| InChIK | WSRNSCBLVPECPF-UHFFFAOYSA-N |
| TotalMolweight | 446.505 |
| Molweight | 446.505 |
| MonoisotopicMass | 446.163043 |
| CLogP | 6.403 |
| CLogS | -7.984 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.45 |
| Relative PSA | 0.16074 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.5035 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 15 |
| StereoCon |
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