(9E)-9-(phenylhydrazinylidene)fluorene-4-carbonitrile
Formula:C20H13N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9E)-9-(phenylhydrazinylidene)fluorene-4-carbonitrile is not a drug-like molecule.
| MolName | (9E)-9-(phenylhydrazinylidene)fluorene-4-carbonitrile |
| MolecularFormula | C20H13N3 |
| Smiles | N#Cc1c(-c(cccc2)c2/C2=N\Nc3ccccc3)c2ccc1 |
| InChI | InChI=1S/C20H13N3/c21-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)20(18)23-22-15-8-2-1-3-9-15/h1-12,22H |
| InChIK | OKZBTGRMRLMDCD-UHFFFAOYSA-N |
| TotalMolweight | 295.344 |
| Molweight | 295.344 |
| MonoisotopicMass | 295.110947 |
| CLogP | 6.2595 |
| CLogS | -6.698 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.42 |
| Relative PSA | 0.15517 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -2.999 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| StereoCon |
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