N-(2,5-dichlorophenyl)-1-thiophen-2-ylmethanimine oxide
Formula:C11H7NOCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-1-thiophen-2-ylmethanimine oxide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-1-thiophen-2-ylmethanimine oxide |
| MolecularFormula | C11H7NOCl2S |
| Smiles | [O-]/[N+](/c(cc(cc1)Cl)c1Cl)=C\c1cccs1 |
| InChI | InChI=1S/C11H7Cl2NOS/c12-8-3-4-10(13)11(6-8)14(15)7-9-2-1-5-16-9/h1-7H |
| InChIK | GRCJWHFUEYPCHO-UHFFFAOYSA-N |
| TotalMolweight | 272.155 |
| Molweight | 272.155 |
| MonoisotopicMass | 270.962538 |
| CLogP | 4.0944 |
| CLogS | -5.11 |
| H Acceptors | 2 |
| TotalSurfaceArea | 190.43 |
| Relative PSA | 0.19818 |
| PolarSurfaceArea | 56.99 |
| Druglikeness | -1.2588 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2,5-dichlorophenyl)-1-thiophen-2-ylmethanimine oxide | 2 - N-(2,5-dichlorophenyl)-1-thiophen-2-ylmethanimine oxide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off