(E)-N-(oxolan-2-ylmethyl)-3-phenylsulfanylprop-2-enamide
Formula:C14H17NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(oxolan-2-ylmethyl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(oxolan-2-ylmethyl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C14H17NO2S |
| Smiles | O=C(/C=C/Sc1ccccc1)NCC1OCCC1 |
| InChI | InChI=1S/C14H17NO2S/c16-14(15-11-12-5-4-9-17-12)8-10-18-13-6-2-1-3-7-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,15,16)/t12-/m1/s1 |
| InChIK | GGOUJRQSGDMWNK-GFCCVEGCSA-N |
| TotalMolweight | 263.36 |
| Molweight | 263.36 |
| MonoisotopicMass | 263.097999 |
| CLogP | 1.7739 |
| CLogS | -3.064 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 210.5 |
| Relative PSA | 0.24698 |
| PolarSurfaceArea | 63.63 |
| Druglikeness | -0.65163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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