2,4,5-trichloro-6-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-carbonitrile
Formula:C15H9N4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,4,5-trichloro-6-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2,4,5-trichloro-6-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-carbonitrile |
| MolecularFormula | C15H9N4Cl3 |
| Smiles | N#Cc(c(Cl)nc(N/N=C\C=C\c1ccccc1)c1Cl)c1Cl |
| InChI | InChI=1S/C15H9Cl3N4/c16-12-11(9-19)14(18)21-15(13(12)17)22-20-8-4-7-10-5-2-1-3-6-10/h1-8H,(H,21,22) |
| InChIK | KAMDCLXUQZGWML-UHFFFAOYSA-N |
| TotalMolweight | 351.623 |
| Molweight | 351.623 |
| MonoisotopicMass | 349.989277 |
| CLogP | 5.9607 |
| CLogS | -5.915 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.47 |
| Relative PSA | 0.18097 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -1.9789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,4,5-trichloro-6-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-carbonitrile | 2 - 2,4,5-trichloro-6-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-carbonitrile
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