(E)-3-thiophen-2-yl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C14H8N2S3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-2-yl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-thiophen-2-yl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H8N2S3 |
| Smiles | N#C/C(/c1nc(-c2cccs2)cs1)=C\c1cccs1 |
| InChI | InChI=1S/C14H8N2S3/c15-8-10(7-11-3-1-5-17-11)14-16-12(9-19-14)13-4-2-6-18-13/h1-7,9H |
| InChIK | VVZUYJXZICMASK-UHFFFAOYSA-N |
| TotalMolweight | 300.43 |
| Molweight | 300.43 |
| MonoisotopicMass | 299.984958 |
| CLogP | 3.803 |
| CLogS | -4.368 |
| H Acceptors | 2 |
| TotalSurfaceArea | 225.78 |
| Relative PSA | 0.37917 |
| PolarSurfaceArea | 121.4 |
| Druglikeness | -0.79534 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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