N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C23H16N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C23H16N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H16N2O3/c26-23(17-9-10-21-22(12-17)28-14-27-21)25-24-13-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-13H,14H2,(H,25,26) |
| InChIK | PXOOHZWQZZMZSY-UHFFFAOYSA-N |
| TotalMolweight | 368.391 |
| Molweight | 368.391 |
| MonoisotopicMass | 368.116093 |
| CLogP | 5.7018 |
| CLogS | -7.644 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.45 |
| Relative PSA | 0.2026 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2378 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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