(3Z)-3-(quinolin-2-ylmethylidene)-2-benzofuran-1-one
Formula:C18H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(quinolin-2-ylmethylidene)-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3Z)-3-(quinolin-2-ylmethylidene)-2-benzofuran-1-one |
| MolecularFormula | C18H11NO2 |
| Smiles | O=C(c1c2cccc1)O/C2=C\c1nc2ccccc2cc1 |
| InChI | InChI=1S/C18H11NO2/c20-18-15-7-3-2-6-14(15)17(21-18)11-13-10-9-12-5-1-4-8-16(12)19-13/h1-11H |
| InChIK | CXPDELLOVTUCGG-UHFFFAOYSA-N |
| TotalMolweight | 273.29 |
| Molweight | 273.29 |
| MonoisotopicMass | 273.078979 |
| CLogP | 3.6805 |
| CLogS | -4.509 |
| H Acceptors | 3 |
| TotalSurfaceArea | 205.34 |
| Relative PSA | 0.16563 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -0.81696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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