(4E)-2-(3,4-dichlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
Formula:C20H11NO2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(3,4-dichlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(3,4-dichlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C20H11NO2Cl2 |
| Smiles | O=C1OC(c(cc2)cc(Cl)c2Cl)=N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C20H11Cl2NO2/c21-16-9-8-14(10-17(16)22)19-23-18(20(24)25-19)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H |
| InChIK | OLVDPKGDWCMZNA-UHFFFAOYSA-N |
| TotalMolweight | 368.218 |
| Molweight | 368.218 |
| MonoisotopicMass | 367.016683 |
| CLogP | 4.9982 |
| CLogS | -6.997 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.39 |
| Relative PSA | 0.13269 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| 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 |
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1 - (4E)-2-(3,4-dichlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one | 2 - (4E)-2-(3,4-dichlorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
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