(1E)-2-amino-2-morpholin-4-ium-4-ylidene-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide
Formula:C14H15N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-amino-2-morpholin-4-ium-4-ylidene-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-amino-2-morpholin-4-ium-4-ylidene-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide |
| MolecularFormula | C14H15N5OF3 |
| Smiles | NC(/C(/C#N)=N/Nc1cccc(C(F)(F)F)c1)=[N+]1CCOCC1 |
| InChI | InChI=1S/C14H14F3N5O/c15-14(16,17)10-2-1-3-11(8-10)20-21-12(9-18)13(19)22-4-6-23-7-5-22/h1-3,8H,4-7H2,(H2,19,20)/p+1 |
| InChIK | QOAWQDNMQIHBGR-UHFFFAOYSA-O |
| TotalMolweight | 326.301 |
| Molweight | 326.301 |
| MonoisotopicMass | 326.122869 |
| CLogP | 1.5492 |
| CLogS | -2.115 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 231.93 |
| Relative PSA | 0.24404 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | -12.624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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