[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 4-(4-chlorophenoxy)-3-nitrobenzoate
Formula:C20H11N2O5Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 4-(4-chlorophenoxy)-3-nitrobenzoate is not a drug-like molecule.
| MolName | [(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 4-(4-chlorophenoxy)-3-nitrobenzoate |
| MolecularFormula | C20H11N2O5Cl2F |
| Smiles | [O-][N+](c(cc(cc1)C(O/N=C\c(c(F)ccc2)c2Cl)=O)c1Oc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H11Cl2FN2O5/c21-13-5-7-14(8-6-13)29-19-9-4-12(10-18(19)25(27)28)20(26)30-24-11-15-16(22)2-1-3-17(15)23/h1-11H |
| InChIK | GZBZSICRMJAYEZ-UHFFFAOYSA-N |
| TotalMolweight | 449.22 |
| Molweight | 449.22 |
| MonoisotopicMass | 448.002905 |
| CLogP | 5.7049 |
| CLogS | -8.314 |
| H Acceptors | 7 |
| TotalSurfaceArea | 316.15 |
| Relative PSA | 0.23713 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -9.6829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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