N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(1,3-benzodioxol-5-ylmethyl)oxamide
Formula:C25H19N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(1,3-benzodioxol-5-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(1,3-benzodioxol-5-ylmethyl)oxamide |
| MolecularFormula | C25H19N3O4 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)NCc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C25H19N3O4/c29-24(26-13-16-9-10-22-23(11-16)32-15-31-22)25(30)28-27-14-21-19-7-3-1-5-17(19)12-18-6-2-4-8-20(18)21/h1-12,14H,13,15H2,(H,26,29)(H,28,30) |
| InChIK | OSCGNBZBWOPFLN-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.3535 |
| CLogS | -7.264 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 319.42 |
| Relative PSA | 0.25205 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.8961 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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