(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
Formula:C16H7NO2Cl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one |
| MolecularFormula | C16H7NO2Cl3F |
| Smiles | O=C1OC(c(cc2)cc(Cl)c2Cl)=N/C1=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C16H7Cl3FNO2/c17-10-2-1-3-13(20)9(10)7-14-16(22)23-15(21-14)8-4-5-11(18)12(19)6-8/h1-7H |
| InChIK | FPBQSADUAOFVBU-UHFFFAOYSA-N |
| TotalMolweight | 370.594 |
| Molweight | 370.594 |
| MonoisotopicMass | 368.952638 |
| CLogP | 4.5106 |
| CLogS | -6.441 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.56 |
| Relative PSA | 0.13956 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -0.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dichlorophenyl)-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off