benzyl [(E)-3-phenylprop-2-enoyl]sulfanylformate
Formula:C17H14O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl [(E)-3-phenylprop-2-enoyl]sulfanylformate is a drug-like molecule.
| MolName | benzyl [(E)-3-phenylprop-2-enoyl]sulfanylformate |
| MolecularFormula | C17H14O3S |
| Smiles | O=C(/C=C/c1ccccc1)SC(OCc1ccccc1)=O |
| InChI | InChI=1S/C17H14O3S/c18-16(12-11-14-7-3-1-4-8-14)21-17(19)20-13-15-9-5-2-6-10-15/h1-12H,13H2 |
| InChIK | IJBLLKGRSQAKFS-UHFFFAOYSA-N |
| TotalMolweight | 298.361 |
| Molweight | 298.361 |
| MonoisotopicMass | 298.066365 |
| CLogP | 3.3039 |
| CLogS | -3.64 |
| H Acceptors | 3 |
| TotalSurfaceArea | 236.27 |
| Relative PSA | 0.22673 |
| PolarSurfaceArea | 68.67 |
| Druglikeness | 0.2428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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