[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-chloroacetate
Formula:C9H8N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-chloroacetate |
| MolecularFormula | C9H8N2O2Cl2 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(CCl)=O |
| InChI | InChI=1S/C9H8Cl2N2O2/c10-5-8(14)15-13-9(12)6-1-3-7(11)4-2-6/h1-4H,5H2,(H2,12,13) |
| InChIK | PKCVQMWJUHGXGA-UHFFFAOYSA-N |
| TotalMolweight | 247.081 |
| Molweight | 247.081 |
| MonoisotopicMass | 245.996282 |
| CLogP | 2.4636 |
| CLogS | -3.503 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 177.1 |
| Relative PSA | 0.28131 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.0241 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-chloroacetate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-chloroacetate
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