2,6-dichloro-N'-[(E)-3-phenylprop-2-enoyl]pyridine-4-carbohydrazide
Formula:C15H11N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N'-[(E)-3-phenylprop-2-enoyl]pyridine-4-carbohydrazide is a drug-like molecule.
| MolName | 2,6-dichloro-N'-[(E)-3-phenylprop-2-enoyl]pyridine-4-carbohydrazide |
| MolecularFormula | C15H11N3O2Cl2 |
| Smiles | O=C(/C=C/c1ccccc1)NNC(c1cc(Cl)nc(Cl)c1)=O |
| InChI | InChI=1S/C15H11Cl2N3O2/c16-12-8-11(9-13(17)18-12)15(22)20-19-14(21)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,21)(H,20,22) |
| InChIK | AKLLUOQKQJKCSM-UHFFFAOYSA-N |
| TotalMolweight | 336.177 |
| Molweight | 336.177 |
| MonoisotopicMass | 335.022831 |
| CLogP | 2.3527 |
| CLogS | -3.883 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 247.54 |
| Relative PSA | 0.24226 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 0.66566 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| 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 | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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