(Z)-2-cyano-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C14H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-3-pyridin-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C14H11N3OS |
| Smiles | N#C/C(/C(NCc1cccs1)=O)=C/c1cnccc1 |
| InChI | InChI=1S/C14H11N3OS/c15-8-12(7-11-3-1-5-16-9-11)14(18)17-10-13-4-2-6-19-13/h1-7,9H,10H2,(H,17,18) |
| InChIK | ZISJEODTFMMYRF-UHFFFAOYSA-N |
| TotalMolweight | 269.327 |
| Molweight | 269.327 |
| MonoisotopicMass | 269.062282 |
| CLogP | 1.5634 |
| CLogS | -2.801 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.11 |
| Relative PSA | 0.31961 |
| PolarSurfaceArea | 94.02 |
| Druglikeness | 0.21981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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