N-[(Z)-anthracen-9-ylmethylideneamino]-N'-phenylpyridine-2-carboximidamide
Formula:C27H20N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-N'-phenylpyridine-2-carboximidamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-N'-phenylpyridine-2-carboximidamide |
| MolecularFormula | C27H20N4 |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\N/C(/c1ncccc1)=N/c1ccccc1 |
| InChI | InChI=1S/C27H20N4/c1-2-12-22(13-3-1)30-27(26-16-8-9-17-28-26)31-29-19-25-23-14-6-4-10-20(23)18-21-11-5-7-15-24(21)25/h1-19H,(H,30,31) |
| InChIK | CAYKZBQNUMMFHC-UHFFFAOYSA-N |
| TotalMolweight | 400.484 |
| Molweight | 400.484 |
| MonoisotopicMass | 400.168796 |
| CLogP | 6.084 |
| CLogS | -7.38 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 319.93 |
| Relative PSA | 0.14206 |
| PolarSurfaceArea | 49.64 |
| Druglikeness | 2.6253 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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