(3E)-3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
Formula:C15H13N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one |
| MolecularFormula | C15H13N4OCl |
| Smiles | O=C(/C(/CC1)=C/Nc(cc2)ccc2Cl)N1c1ncccn1 |
| InChI | InChI=1S/C15H13ClN4O/c16-12-2-4-13(5-3-12)19-10-11-6-9-20(14(11)21)15-17-7-1-8-18-15/h1-5,7-8,10,19H,6,9H2 |
| InChIK | IKAZGXGHKFOFAH-UHFFFAOYSA-N |
| TotalMolweight | 300.748 |
| Molweight | 300.748 |
| MonoisotopicMass | 300.077788 |
| CLogP | 1.9146 |
| CLogS | -3.663 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.2 |
| Relative PSA | 0.22297 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 4.5583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one | 2 - (3E)-3-[(4-chloroanilino)methylidene]-1-pyrimidin-2-ylpyrrolidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off