[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
Formula:C16H10N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone is a drug-like molecule.
| MolName | [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone |
| MolecularFormula | C16H10N2OCl2S |
| Smiles | O=C(c1cccs1)n1nccc1/C=C/c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H10Cl2N2OS/c17-13-3-1-4-14(18)12(13)7-6-11-8-9-19-20(11)16(21)15-5-2-10-22-15/h1-10H |
| InChIK | NBYZYJTZHYVSQE-UHFFFAOYSA-N |
| TotalMolweight | 349.24 |
| Molweight | 349.24 |
| MonoisotopicMass | 347.989087 |
| CLogP | 4.8154 |
| CLogS | -6.517 |
| H Acceptors | 3 |
| TotalSurfaceArea | 251.77 |
| Relative PSA | 0.20352 |
| PolarSurfaceArea | 63.13 |
| Druglikeness | 5.8583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone | 2 - [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off