(3E)-1-pyrimidin-2-yl-3-[[4-(trifluoromethoxy)anilino]methylidene]pyrrolidin-2-one
Formula:C16H13N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-1-pyrimidin-2-yl-3-[[4-(trifluoromethoxy)anilino]methylidene]pyrrolidin-2-one is a drug-like molecule.
| MolName | (3E)-1-pyrimidin-2-yl-3-[[4-(trifluoromethoxy)anilino]methylidene]pyrrolidin-2-one |
| MolecularFormula | C16H13N4O2F3 |
| Smiles | O=C(/C(/CC1)=C/Nc(cc2)ccc2OC(F)(F)F)N1c1ncccn1 |
| InChI | InChI=1S/C16H13F3N4O2/c17-16(18,19)25-13-4-2-12(3-5-13)22-10-11-6-9-23(14(11)24)15-20-7-1-8-21-15/h1-5,7-8,10,22H,6,9H2 |
| InChIK | ONDRGUOVGXTDFG-UHFFFAOYSA-N |
| TotalMolweight | 350.299 |
| Molweight | 350.299 |
| MonoisotopicMass | 350.09906 |
| CLogP | 2.4076 |
| CLogS | -3.95 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.24 |
| Relative PSA | 0.24166 |
| PolarSurfaceArea | 67.35 |
| Druglikeness | -3.5425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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