[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 2-(4-nitrophenoxy)acetate
Formula:C15H10N2O5ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 2-(4-nitrophenoxy)acetate is a drug-like molecule.
| MolName | [(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 2-(4-nitrophenoxy)acetate |
| MolecularFormula | C15H10N2O5ClF |
| Smiles | [O-][N+](c(cc1)ccc1OCC(O/N=C\c(c(F)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C15H10ClFN2O5/c16-13-2-1-3-14(17)12(13)8-18-24-15(20)9-23-11-6-4-10(5-7-11)19(21)22/h1-8H,9H2 |
| InChIK | JEZAYAJHHFAVTE-UHFFFAOYSA-N |
| TotalMolweight | 352.704 |
| Molweight | 352.704 |
| MonoisotopicMass | 352.026228 |
| CLogP | 3.2782 |
| CLogS | -5.061 |
| H Acceptors | 7 |
| TotalSurfaceArea | 254.73 |
| Relative PSA | 0.29431 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -9.554 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 2-(4-nitrophenoxy)acetate | 2 - [(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 2-(4-nitrophenoxy)acetate
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