3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
Formula:C19H13N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is not a drug-like molecule.
| MolName | 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]chromen-2-one |
| MolecularFormula | C19H13N3O2S |
| Smiles | O=C1Oc(cccc2)c2C=C1c1csc(N/N=C\c2ccccc2)n1 |
| InChI | InChI=1S/C19H13N3O2S/c23-18-15(10-14-8-4-5-9-17(14)24-18)16-12-25-19(21-16)22-20-11-13-6-2-1-3-7-13/h1-12H,(H,21,22) |
| InChIK | WSBXKPBLDXNCPA-UHFFFAOYSA-N |
| TotalMolweight | 347.397 |
| Molweight | 347.397 |
| MonoisotopicMass | 347.072847 |
| CLogP | 5.6132 |
| CLogS | -4.617 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.66 |
| Relative PSA | 0.29445 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 4.3335 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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