(E)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Formula:C14H8N2OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H8N2OS |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C\c1ccco1 |
| InChI | InChI=1S/C14H8N2OS/c15-9-10(8-11-4-3-7-17-11)14-16-12-5-1-2-6-13(12)18-14/h1-8H |
| InChIK | DBIXCVADFDLNNY-UHFFFAOYSA-N |
| TotalMolweight | 252.297 |
| Molweight | 252.297 |
| MonoisotopicMass | 252.035733 |
| CLogP | 2.5285 |
| CLogS | -3.575 |
| H Acceptors | 3 |
| TotalSurfaceArea | 198.43 |
| Relative PSA | 0.29733 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -3.3046 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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