N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzodioxol-5-yl)acetamide
Formula:C24H18N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzodioxol-5-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzodioxol-5-yl)acetamide |
| MolecularFormula | C24H18N2O3 |
| Smiles | O=C(Cc(cc1)cc2c1OCO2)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18N2O3/c27-24(12-16-9-10-22-23(11-16)29-15-28-22)26-25-14-21-19-7-3-1-5-17(19)13-18-6-2-4-8-20(18)21/h1-11,13-14H,12,15H2,(H,26,27) |
| InChIK | MOUMDXDTIVJNCA-UHFFFAOYSA-N |
| TotalMolweight | 382.418 |
| Molweight | 382.418 |
| MonoisotopicMass | 382.131743 |
| CLogP | 5.6999 |
| CLogS | -7.609 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.21 |
| Relative PSA | 0.193 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2008 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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