(3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one
Formula:C17H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C17H13NO3 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H13NO3/c19-17-13(12-3-1-2-4-14(12)18-17)9-11-5-6-15-16(10-11)21-8-7-20-15/h1-6,9-10H,7-8H2,(H,18,19) |
| InChIK | JKKFHYVBTVKREJ-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 2.2445 |
| CLogS | -3.551 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207.46 |
| Relative PSA | 0.2145 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -4.4563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one | 2 - (3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one
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