N-[(Z)-anthracen-9-ylmethylideneamino]formamide
Formula:C16H12N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]formamide |
| MolecularFormula | C16H12N2O |
| Smiles | O=CN/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C16H12N2O/c19-11-18-17-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-11H,(H,18,19) |
| InChIK | HNKFUGPBCXWNNH-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 3.7758 |
| CLogS | -5.932 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 198.22 |
| Relative PSA | 0.18167 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.2148 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 6 |
| StereoCon |
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