(4E)-2-(2-chloro-5-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Formula:C20H11NO2ClI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(2-chloro-5-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2-chloro-5-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C20H11NO2ClI |
| Smiles | O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C20H11ClINO2/c21-17-9-8-14(22)11-16(17)19-23-18(20(24)25-19)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H |
| InChIK | BEBDFENJZADYNF-UHFFFAOYSA-N |
| TotalMolweight | 459.665 |
| Molweight | 459.665 |
| MonoisotopicMass | 458.952304 |
| CLogP | 4.8293 |
| CLogS | -7.277 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.25 |
| Relative PSA | 0.12737 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 1.4944 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-2-(2-chloro-5-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one | 2 - (4E)-2-(2-chloro-5-iodophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off