N-[(Z)-anthracen-9-ylmethylideneamino]naphthalene-1-carboxamide
Formula:C26H18N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C26H18N2O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H18N2O/c29-26(24-15-7-11-18-8-1-4-12-21(18)24)28-27-17-25-22-13-5-2-9-19(22)16-20-10-3-6-14-23(20)25/h1-17H,(H,28,29) |
| InChIK | XOFVFMQWBAOCCB-UHFFFAOYSA-N |
| TotalMolweight | 374.442 |
| Molweight | 374.442 |
| MonoisotopicMass | 374.141913 |
| CLogP | 6.7848 |
| CLogS | -8.539 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 290.79 |
| Relative PSA | 0.12384 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4687 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| StereoCon |
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