(4Z)-4-(furan-2-ylmethylidene)isoquinoline-1,3-dione
Formula:C14H9NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(furan-2-ylmethylidene)isoquinoline-1,3-dione is a drug-like molecule.
| MolName | (4Z)-4-(furan-2-ylmethylidene)isoquinoline-1,3-dione |
| MolecularFormula | C14H9NO3 |
| Smiles | O=C(/C(/c1c2cccc1)=C\c1ccco1)NC2=O |
| InChI | InChI=1S/C14H9NO3/c16-13-11-6-2-1-5-10(11)12(14(17)15-13)8-9-4-3-7-18-9/h1-8H,(H,15,16,17) |
| InChIK | ULTZHMUMFRJMEO-UHFFFAOYSA-N |
| TotalMolweight | 239.229 |
| Molweight | 239.229 |
| MonoisotopicMass | 239.058244 |
| CLogP | 1.4151 |
| CLogS | -2.996 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 180.88 |
| Relative PSA | 0.28555 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | 2.9778 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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