[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-chloroacetate
Formula:C9H7N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-chloroacetate |
| MolecularFormula | C9H7N2O2Cl3 |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N/OC(CCl)=O |
| InChI | InChI=1S/C9H7Cl3N2O2/c10-4-7(15)16-14-9(13)8-5(11)2-1-3-6(8)12/h1-3H,4H2,(H2,13,14) |
| InChIK | NZJCFDUFGNSQGM-UHFFFAOYSA-N |
| TotalMolweight | 281.526 |
| Molweight | 281.526 |
| MonoisotopicMass | 279.957309 |
| CLogP | 3.0696 |
| CLogS | -4.239 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.52 |
| Relative PSA | 0.25878 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.0241 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-chloroacetate | 2 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2-chloroacetate
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