2-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione
Formula:C19H10N4O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C19H10N4O3ClF |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F |
| InChI | InChI=1S/C19H10ClFN4O3/c20-19-22-10-15(21)16(24-19)28-12-7-5-11(6-8-12)9-23-25-17(26)13-3-1-2-4-14(13)18(25)27/h1-10H |
| InChIK | GNGGZOMZRKKGJS-UHFFFAOYSA-N |
| TotalMolweight | 396.764 |
| Molweight | 396.764 |
| MonoisotopicMass | 396.042546 |
| CLogP | 3.7844 |
| CLogS | -6.219 |
| H Acceptors | 7 |
| TotalSurfaceArea | 279.13 |
| Relative PSA | 0.26181 |
| PolarSurfaceArea | 84.75 |
| Druglikeness | 2.3725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off