(E)-2-(1,3-benzothiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
Formula:C20H12N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile |
| MolecularFormula | C20H12N2OS |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c2ccccc2)o1 |
| InChI | InChI=1S/C20H12N2OS/c21-13-15(20-22-17-8-4-5-9-19(17)24-20)12-16-10-11-18(23-16)14-6-2-1-3-7-14/h1-12H |
| InChIK | ONBXCGRPBBMVBA-UHFFFAOYSA-N |
| TotalMolweight | 328.394 |
| Molweight | 328.394 |
| MonoisotopicMass | 328.067033 |
| CLogP | 4.2787 |
| CLogS | -5.353 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.19 |
| Relative PSA | 0.22851 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -1.9459 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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