(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
Formula:C18H10N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C18H10N2O2S |
| Smiles | N#C/C(/c1nc(-c2cc(cccc3)c3o2)cs1)=C\c1ccco1 |
| InChI | InChI=1S/C18H10N2O2S/c19-10-13(8-14-5-3-7-21-14)18-20-15(11-23-18)17-9-12-4-1-2-6-16(12)22-17/h1-9,11H |
| InChIK | WBZKCFXJWAZRQE-UHFFFAOYSA-N |
| TotalMolweight | 318.355 |
| Molweight | 318.355 |
| MonoisotopicMass | 318.046298 |
| CLogP | 3.6442 |
| CLogS | -4.97 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.88 |
| Relative PSA | 0.29494 |
| PolarSurfaceArea | 91.2 |
| Druglikeness | -1.9922 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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