2-[(E)-3-phenylprop-2-enyl]sulfanylaniline
Formula:C15H15NS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-phenylprop-2-enyl]sulfanylaniline is a drug-like molecule.
| MolName | 2-[(E)-3-phenylprop-2-enyl]sulfanylaniline |
| MolecularFormula | C15H15NS |
| Smiles | Nc(cccc1)c1SC/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H15NS/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11H,12,16H2 |
| InChIK | RGJKZILYUANHCD-UHFFFAOYSA-N |
| TotalMolweight | 241.357 |
| Molweight | 241.357 |
| MonoisotopicMass | 241.092519 |
| CLogP | 3.7295 |
| CLogS | -4.312 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 199.29 |
| Relative PSA | 0.16438 |
| PolarSurfaceArea | 51.32 |
| Druglikeness | -0.60947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-3-phenylprop-2-enyl]sulfanylaniline | 2 - 2-[(E)-3-phenylprop-2-enyl]sulfanylaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off