[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino] 2,2-dichloroacetate
Formula:C16H14N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino] 2,2-dichloroacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino] 2,2-dichloroacetate |
| MolecularFormula | C16H14N2O3Cl2 |
| Smiles | N/C(/c(cc1)ccc1OCc1ccccc1)=N/OC(C(Cl)Cl)=O |
| InChI | InChI=1S/C16H14Cl2N2O3/c17-14(18)16(21)23-20-15(19)12-6-8-13(9-7-12)22-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,19,20) |
| InChIK | FSZFOUFPFPSANB-UHFFFAOYSA-N |
| TotalMolweight | 353.204 |
| Molweight | 353.204 |
| MonoisotopicMass | 352.038147 |
| CLogP | 3.6079 |
| CLogS | -4.405 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.36 |
| Relative PSA | 0.23064 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -5.9544 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino] 2,2-dichloroacetate | 2 - [(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino] 2,2-dichloroacetate
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