(E)-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enoate
Formula:C14H10NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enoate |
| MolecularFormula | C14H10NO2S |
| Smiles | [O-]C(/C=C/C1=CC=CN(c2ccccc2)C1=S)=O |
| InChI | InChI=1S/C14H11NO2S/c16-13(17)9-8-11-5-4-10-15(14(11)18)12-6-2-1-3-7-12/h1-10H,(H,16,17)/p-1 |
| InChIK | UQIJFPHIRQCVRD-UHFFFAOYSA-M |
| TotalMolweight | 256.304 |
| Molweight | 256.304 |
| MonoisotopicMass | 256.043224 |
| CLogP | -0.6526 |
| CLogS | -3.434 |
| H Acceptors | 3 |
| TotalSurfaceArea | 205.76 |
| Relative PSA | 0.28611 |
| PolarSurfaceArea | 75.46 |
| Druglikeness | 1.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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