(3Z)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1H-indol-2-one
Formula:C17H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C17H13NO2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1)cc2c1OCC2 |
| InChI | InChI=1S/C17H13NO2/c19-17-14(13-3-1-2-4-15(13)18-17)10-11-5-6-16-12(9-11)7-8-20-16/h1-6,9-10H,7-8H2,(H,18,19) |
| InChIK | KPDJMHZKJOMUAZ-UHFFFAOYSA-N |
| TotalMolweight | 263.295 |
| Molweight | 263.295 |
| MonoisotopicMass | 263.094629 |
| CLogP | 2.4915 |
| CLogS | -3.736 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.46 |
| Relative PSA | 0.17472 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.1518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1H-indol-2-one | 2 - (3Z)-3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off