[(Z)-(3-nitrophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate
Formula:C15H10N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(3-nitrophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] 2-(2,4-dichlorophenoxy)acetate |
| MolecularFormula | C15H10N2O5Cl2 |
| Smiles | [O-][N+](c1cccc(/C=N\OC(COc(ccc(Cl)c2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C15H10Cl2N2O5/c16-11-4-5-14(13(17)7-11)23-9-15(20)24-18-8-10-2-1-3-12(6-10)19(21)22/h1-8H,9H2 |
| InChIK | CZGYTAHQFFFSDA-UHFFFAOYSA-N |
| TotalMolweight | 369.159 |
| Molweight | 369.159 |
| MonoisotopicMass | 367.996677 |
| CLogP | 3.7834 |
| CLogS | -5.483 |
| H Acceptors | 7 |
| TotalSurfaceArea | 263.8 |
| Relative PSA | 0.28419 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -8.214 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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