3-[2-[(Z)-morpholin-4-yliminomethyl]-1,3-thiazol-4-yl]chromen-2-one
Formula:C17H15N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-[2-[(Z)-morpholin-4-yliminomethyl]-1,3-thiazol-4-yl]chromen-2-one is a drug-like molecule.
| MolName | 3-[2-[(Z)-morpholin-4-yliminomethyl]-1,3-thiazol-4-yl]chromen-2-one |
| MolecularFormula | C17H15N3O3S |
| Smiles | O=C1Oc(cccc2)c2C=C1c1csc(/C=N\N2CCOCC2)n1 |
| InChI | InChI=1S/C17H15N3O3S/c21-17-13(9-12-3-1-2-4-15(12)23-17)14-11-24-16(19-14)10-18-20-5-7-22-8-6-20/h1-4,9-11H,5-8H2 |
| InChIK | CBBALGWDAUNOFH-UHFFFAOYSA-N |
| TotalMolweight | 341.39 |
| Molweight | 341.39 |
| MonoisotopicMass | 341.083412 |
| CLogP | 1.4686 |
| CLogS | -2.596 |
| H Acceptors | 6 |
| TotalSurfaceArea | 253.28 |
| Relative PSA | 0.31361 |
| PolarSurfaceArea | 92.26 |
| Druglikeness | 5.2939 |
| 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 | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[2-[(Z)-morpholin-4-yliminomethyl]-1,3-thiazol-4-yl]chromen-2-one | 2 - 3-[2-[(Z)-morpholin-4-yliminomethyl]-1,3-thiazol-4-yl]chromen-2-one
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