[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] morpholine-4-carboxylate
Formula:C13H14N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C13H14N3O3F3 |
| Smiles | N/C(/c1cccc(C(F)(F)F)c1)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C13H14F3N3O3/c14-13(15,16)10-3-1-2-9(8-10)11(17)18-22-12(20)19-4-6-21-7-5-19/h1-3,8H,4-7H2,(H2,17,18) |
| InChIK | QBBJDKZHDXSZLT-UHFFFAOYSA-N |
| TotalMolweight | 317.266 |
| Molweight | 317.266 |
| MonoisotopicMass | 317.098726 |
| CLogP | 2.4411 |
| CLogS | -3.028 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.8 |
| Relative PSA | 0.28315 |
| PolarSurfaceArea | 77.15 |
| Druglikeness | -10.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] morpholine-4-carboxylate
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