4-chloro-3-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one
Formula:C16H12N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-chloro-3-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one is not a drug-like molecule.
| MolName | 4-chloro-3-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-2-one |
| MolecularFormula | C16H12N3OClS |
| Smiles | O=C(N1c2ccccc2)SC(/C=N\Nc2ccccc2)=C1Cl |
| InChI | InChI=1S/C16H12ClN3OS/c17-15-14(11-18-19-12-7-3-1-4-8-12)22-16(21)20(15)13-9-5-2-6-10-13/h1-11,19H |
| InChIK | NGNHURGAPSKEOM-UHFFFAOYSA-N |
| TotalMolweight | 329.81 |
| Molweight | 329.81 |
| MonoisotopicMass | 329.038959 |
| CLogP | 5.2883 |
| CLogS | -5.278 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.62 |
| Relative PSA | 0.23809 |
| PolarSurfaceArea | 70 |
| Druglikeness | 4.7204 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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