3-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
Formula:C17H11N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is a drug-like molecule.
| MolName | 3-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one |
| MolecularFormula | C17H11N3O3S |
| Smiles | O=C1Oc(cccc2)c2C=C1c1csc(N/N=C\c2ccco2)n1 |
| InChI | InChI=1S/C17H11N3O3S/c21-16-13(8-11-4-1-2-6-15(11)23-16)14-10-24-17(19-14)20-18-9-12-5-3-7-22-12/h1-10H,(H,19,20) |
| InChIK | VLTUMZDAPJAKRL-UHFFFAOYSA-N |
| TotalMolweight | 337.358 |
| Molweight | 337.358 |
| MonoisotopicMass | 337.052112 |
| CLogP | 4.8019 |
| CLogS | -4.299 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.35 |
| Relative PSA | 0.36239 |
| PolarSurfaceArea | 104.96 |
| Druglikeness | 4.0273 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one | 2 - 3-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
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