(2Z)-2-(1,3-benzothiazol-2-yl)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetonitrile
Formula:C17H8N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-benzothiazol-2-yl)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzothiazol-2-yl)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetonitrile |
| MolecularFormula | C17H8N3OFS |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C(\c(cc(cc1)F)c1N1)/C1=O |
| InChI | InChI=1S/C17H8FN3OS/c18-9-5-6-12-10(7-9)15(16(22)20-12)11(8-19)17-21-13-3-1-2-4-14(13)23-17/h1-7H,(H,20,22) |
| InChIK | ONLNYMOONIWTRZ-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.03721 |
| CLogP | 1.8397 |
| CLogS | -3.824 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.01 |
| Relative PSA | 0.303 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | -2.1312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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