(4Z)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one
Formula:C18H11NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one |
| MolecularFormula | C18H11NO3 |
| Smiles | O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccco1 |
| InChI | InChI=1S/C18H11NO3/c20-18-16(11-13-7-4-10-21-13)19-17(22-18)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H |
| InChIK | PIUIQWVKECWLCN-UHFFFAOYSA-N |
| TotalMolweight | 289.289 |
| Molweight | 289.289 |
| MonoisotopicMass | 289.073894 |
| CLogP | 2.9749 |
| CLogS | -5.207 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.24 |
| Relative PSA | 0.22195 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 0.60853 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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