(E)-N-(cyclopropylmethyl)-3-phenylsulfanylprop-2-enamide
Formula:C13H15NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(cyclopropylmethyl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(cyclopropylmethyl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C13H15NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NCC1CC1 |
| InChI | InChI=1S/C13H15NOS/c15-13(14-10-11-6-7-11)8-9-16-12-4-2-1-3-5-12/h1-5,8-9,11H,6-7,10H2,(H,14,15) |
| InChIK | OURAAJRAGBJHHN-UHFFFAOYSA-N |
| TotalMolweight | 233.334 |
| Molweight | 233.334 |
| MonoisotopicMass | 233.087434 |
| CLogP | 2.1985 |
| CLogS | -3.195 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 186.74 |
| Relative PSA | 0.22486 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 2.1318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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