1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-thione
Formula:C18H15N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-thione is a drug-like molecule.
| MolName | 1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-thione |
| MolecularFormula | C18H15N3S |
| Smiles | S=C(C(/C=N\Nc1ccccc1)=CC=C1)N1c1ccccc1 |
| InChI | InChI=1S/C18H15N3S/c22-18-15(14-19-20-16-9-3-1-4-10-16)8-7-13-21(18)17-11-5-2-6-12-17/h1-14,20H |
| InChIK | XMTQTFRGEQIKJD-UHFFFAOYSA-N |
| TotalMolweight | 305.404 |
| Molweight | 305.404 |
| MonoisotopicMass | 305.098667 |
| CLogP | 4.1521 |
| CLogS | -4.564 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.96 |
| Relative PSA | 0.21811 |
| PolarSurfaceArea | 59.72 |
| Druglikeness | 3.2712 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-thione | 2 - 1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-thione
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