(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Formula:C13H10N2OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C13H10N2OS |
| Smiles | N#C/C(/c1nc(C2CC2)cs1)=C\c1ccco1 |
| InChI | InChI=1S/C13H10N2OS/c14-7-10(6-11-2-1-5-16-11)13-15-12(8-17-13)9-3-4-9/h1-2,5-6,8-9H,3-4H2 |
| InChIK | JYLAXXWBHJRTFS-UHFFFAOYSA-N |
| TotalMolweight | 242.301 |
| Molweight | 242.301 |
| MonoisotopicMass | 242.051383 |
| CLogP | 2.5162 |
| CLogS | -3.322 |
| H Acceptors | 3 |
| TotalSurfaceArea | 190.35 |
| Relative PSA | 0.30996 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -1.3133 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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