[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] morpholine-4-carboxylate
Formula:C12H13N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C12H13N3O3Cl2 |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C12H13Cl2N3O3/c13-8-2-1-3-9(14)10(8)11(15)16-20-12(18)17-4-6-19-7-5-17/h1-3H,4-7H2,(H2,15,16) |
| InChIK | WZUYTFFZCINVBV-UHFFFAOYSA-N |
| TotalMolweight | 318.159 |
| Molweight | 318.159 |
| MonoisotopicMass | 317.033396 |
| CLogP | 2.8048 |
| CLogS | -3.722 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 225.18 |
| Relative PSA | 0.28142 |
| PolarSurfaceArea | 77.15 |
| Druglikeness | -2.9533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] morpholine-4-carboxylate
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