(Z)-N-[(2,5-dichlorothiophen-3-yl)methoxy]-1-(4-nitrophenyl)methanimine
Formula:C12H8N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2,5-dichlorothiophen-3-yl)methoxy]-1-(4-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(2,5-dichlorothiophen-3-yl)methoxy]-1-(4-nitrophenyl)methanimine |
| MolecularFormula | C12H8N2O3Cl2S |
| Smiles | [O-][N+](c1ccc(/C=N\OCc(cc(s2)Cl)c2Cl)cc1)=O |
| InChI | InChI=1S/C12H8Cl2N2O3S/c13-11-5-9(12(14)20-11)7-19-15-6-8-1-3-10(4-2-8)16(17)18/h1-6H,7H2 |
| InChIK | ALRQECSVBQKHBK-UHFFFAOYSA-N |
| TotalMolweight | 331.179 |
| Molweight | 331.179 |
| MonoisotopicMass | 329.963267 |
| CLogP | 4.3199 |
| CLogS | -5.508 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.99 |
| Relative PSA | 0.31161 |
| PolarSurfaceArea | 95.65 |
| Druglikeness | -3.8686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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