(Z)-1-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethoxy)methanimine
Formula:C11H9N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethoxy)methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethoxy)methanimine |
| MolecularFormula | C11H9N3O3S |
| Smiles | [O-][N+](c1cccc(/C=N\OCc2cscn2)c1)=O |
| InChI | InChI=1S/C11H9N3O3S/c15-14(16)11-3-1-2-9(4-11)5-13-17-6-10-7-18-8-12-10/h1-5,7-8H,6H2 |
| InChIK | YYIGVLCURLGMTK-UHFFFAOYSA-N |
| TotalMolweight | 263.276 |
| Molweight | 263.276 |
| MonoisotopicMass | 263.036462 |
| CLogP | 1.7454 |
| CLogS | -3.119 |
| H Acceptors | 6 |
| TotalSurfaceArea | 199.91 |
| Relative PSA | 0.41649 |
| PolarSurfaceArea | 108.54 |
| Druglikeness | -3.5444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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