4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
Formula:C17H12N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]benzonitrile |
| MolecularFormula | C17H12N4 |
| Smiles | N#Cc1ccc(/C=N\Nc2nc3ccccc3cc2)cc1 |
| InChI | InChI=1S/C17H12N4/c18-11-13-5-7-14(8-6-13)12-19-21-17-10-9-15-3-1-2-4-16(15)20-17/h1-10,12H,(H,20,21) |
| InChIK | IBPAQJUFMRBBKD-UHFFFAOYSA-N |
| TotalMolweight | 272.31 |
| Molweight | 272.31 |
| MonoisotopicMass | 272.106196 |
| CLogP | 5.3439 |
| CLogS | -5.153 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.31 |
| Relative PSA | 0.21176 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -1.8575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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