6-[(E)-2-phenylethenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
Formula:C18H13NO3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
6-[(E)-2-phenylethenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one |
| MolecularFormula | C18H13NO3 |
| Smiles | O=C1c(cc2OCOc2c2)c2NC(/C=C/c2ccccc2)=C1 |
| InChI | InChI=1S/C18H13NO3/c20-16-8-13(7-6-12-4-2-1-3-5-12)19-15-10-18-17(9-14(15)16)21-11-22-18/h1-10H,11H2,(H,19,20) |
| InChIK | LHJNKMCREMQIKG-UHFFFAOYSA-N |
| TotalMolweight | 291.305 |
| Molweight | 291.305 |
| MonoisotopicMass | 291.089544 |
| CLogP | 3.4123 |
| CLogS | -5.207 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.2 |
| Relative PSA | 0.20209 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | 1.4611 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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