2-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]benzonitrile
Formula:C14H10N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C14H10N3Br |
| Smiles | N#Cc1c(/C=N\Nc(cc2)ccc2Br)cccc1 |
| InChI | InChI=1S/C14H10BrN3/c15-13-5-7-14(8-6-13)18-17-10-12-4-2-1-3-11(12)9-16/h1-8,10,18H |
| InChIK | OKYMADKEVDUQCA-UHFFFAOYSA-N |
| TotalMolweight | 300.158 |
| Molweight | 300.158 |
| MonoisotopicMass | 299.005808 |
| CLogP | 5.4017 |
| CLogS | -4.756 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.58 |
| Relative PSA | 0.1743 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -3.6475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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