2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanol
Formula:C9H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanol is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanol |
| MolecularFormula | C9H10N2O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCCO)ccc1)=O |
| InChI | InChI=1S/C9H10N2O4/c12-4-5-15-10-7-8-2-1-3-9(6-8)11(13)14/h1-3,6-7,12H,4-5H2 |
| InChIK | CSQSNKLXZARUKS-UHFFFAOYSA-N |
| TotalMolweight | 210.188 |
| Molweight | 210.188 |
| MonoisotopicMass | 210.064058 |
| CLogP | 0.9756 |
| CLogS | -2.572 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 165.56 |
| Relative PSA | 0.39279 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -5.2995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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