(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
Formula:C24H14NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one is not a drug-like molecule.
| MolName | (4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C24H14NO3Cl |
| Smiles | O=C1OC(c2cc3ccccc3cc2)=N/C1=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C24H14ClNO3/c25-19-9-7-16(8-10-19)22-12-11-20(28-22)14-21-24(27)29-23(26-21)18-6-5-15-3-1-2-4-17(15)13-18/h1-14H |
| InChIK | FFKBDBPAGVMOCT-UHFFFAOYSA-N |
| TotalMolweight | 399.832 |
| Molweight | 399.832 |
| MonoisotopicMass | 399.066221 |
| CLogP | 5.3311 |
| CLogS | -7.721 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.42 |
| Relative PSA | 0.16527 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 1.9645 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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