| MolName | [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C23H14NO4Cl |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1 |
| InChI | InChI=1S/C23H14ClNO4/c24-18-12-10-16(11-13-18)22(26)28-20-9-5-4-8-17(20)14-19-23(27)29-21(25-19)15-6-2-1-3-7-15/h1-14H |
| InChIK | NQAPUXVLVBZPGY-UHFFFAOYSA-N |
| TotalMolweight | 403.82 |
| Molweight | 403.82 |
| MonoisotopicMass | 403.061136 |
| CLogP | 4.6283 |
| CLogS | -6.125 |
| H Acceptors | 5 |
| TotalSurfaceArea | 297.88 |
| Relative PSA | 0.19333 |
| PolarSurfaceArea | 64.96 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate