(Z)-2-(benzenesulfonyl)-N-[(2,6-dichlorophenyl)methoxy]-2-nitroethanimine
Formula:C15H12N2O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(benzenesulfonyl)-N-[(2,6-dichlorophenyl)methoxy]-2-nitroethanimine is a drug-like molecule.
| MolName | (Z)-2-(benzenesulfonyl)-N-[(2,6-dichlorophenyl)methoxy]-2-nitroethanimine |
| MolecularFormula | C15H12N2O5Cl2S |
| Smiles | [O-][N+](C(/C=N\OCc(c(Cl)ccc1)c1Cl)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C15H12Cl2N2O5S/c16-13-7-4-8-14(17)12(13)10-24-18-9-15(19(20)21)25(22,23)11-5-2-1-3-6-11/h1-9,15H,10H2/t15-/m0/s1 |
| InChIK | MHQIVYCLGBZKLL-HNNXBMFYSA-N |
| TotalMolweight | 403.241 |
| Molweight | 403.241 |
| MonoisotopicMass | 401.984397 |
| CLogP | 2.0084 |
| CLogS | -5.205 |
| H Acceptors | 7 |
| TotalSurfaceArea | 277.13 |
| Relative PSA | 0.29051 |
| PolarSurfaceArea | 109.93 |
| Druglikeness | -12.06 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (Z)-2-(benzenesulfonyl)-N-[(2,6-dichlorophenyl)methoxy]-2-nitroethanimine | 2 - (Z)-2-(benzenesulfonyl)-N-[(2,6-dichlorophenyl)methoxy]-2-nitroethanimine
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